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Chemical ID: 7974451
Chemical ID:
7974451
Name [?]:
[1-(1H-benzoimidazol-2-yl)pyrazol-4-yl]methanamine
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)n3cc(cn3)CN
InChi [?]:
InChI=1/C11H11N5/c12-5-8-6-13-16(7-8)11-14-9-3-1-2-4-10(9)15-11/h1-4,6-7H,5,12H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,13,11,12,5,4,8,16,14,7,9,10/E:(1,2)(3,4)(9,10)(14,15)/rA:16nCCCCCCNCNNCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;d11;s12;s10d13;s12;s15;/rC:-.0166,1.3748,.0096;1.1699,2.0941,.0021;2.3821,1.4426,-.013;2.419,.0454,-.0208;1.2146,-.678,-.0132;.0021,-.0041,.002;1.5696,-2.0148,-.0234;2.9331,-2.0715,-.0365;3.4292,-.8618,-.0349;3.6834,-3.242,-.0491;5.0406,-3.3238,-.0567;5.3711,-4.6351,-.0677;4.1853,-5.3796,-.0667;3.1761,-4.5479,-.05;6.7696,-5.1963,-.0797;7.2321,-5.3882,1.3013;
Chemical Details
Atom Count
Formula: | C11H11N5 |
All Atoms: | 27 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.36898 |
Area: | 393.664 |
Solvation: | -2.47262 |
Coulombic: | -34.5111 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 213.239 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 1 |
XLogP: | 0.99 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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