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Chemical ID: 4982738
Chemical ID:
4982738
Name [?]:
5-(3-pyridyl)-4H-1,2,4-triazol-3-amine
SMILES [?]:
c1cc(cnc1)c2[nH]c(nn2)N
InChi [?]:
InChI=1/C7H7N5/c8-7-10-6(11-12-7)5-2-1-3-9-4-5/h1-4H,(H3,8,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,3,7,9,12,5,8,11,10/rA:12nCCCCNCCNCNNN/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;d7s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H7N5 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.02941 |
Area: | 321.14 |
Solvation: | -1.99908 |
Coulombic: | -36.8825 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 161.164 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.42 |
LogP (Chemaxon): | -0.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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