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Chemical ID: 5238029
Chemical ID:
5238029
Name [?]:
1-(2,5-dimethylpyrrol-1-yl)-4H-tetrazol-5-imine
SMILES [?]:
Cc1ccc(n1n2c(=N)[nH]nn2)C
InChi [?]:
InChI=1/C7H10N6/c1-5-3-4-6(2)12(5)13-7(8)9-10-11-13/h3-4H,1-2H3,(H2,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,13,3,4,2,5,8,9,10,11,12,6,7/E:(1,2)(3,4)(5,6)/rA:13nCCCCCNNCNNNNC/rB:s1;d2;s3;d4;s2s5;s6;s7;w8;s8;s10;s7d11;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N6 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.01955 |
Area: | 329.198 |
Solvation: | -2.2104 |
Coulombic: | -23.0503 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 178.195 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | -0.3 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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