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Chemical ID: 4708944
Chemical ID:
4708944
Name [?]:
4-(2-pyridyl)-2H-pyrazol-3-amine
SMILES [?]:
c1ccnc(c1)c2cn[nH]c2N
InChi [?]:
InChI=1/C8H8N4/c9-8-6(5-11-12-8)7-3-1-2-4-10-7/h1-5H,(H3,9,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,7,5,11,12,4,9,10/rA:12nCCCNCCCCNNCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d7s10;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.67138 |
Area: | 316.52 |
Solvation: | -2.24161 |
Coulombic: | -30.4185 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 160.176 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.16 |
LogP (Chemaxon): | 0.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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