Chemical ID: 4982738

c1cc(cnc1)c2[nH]c(nn2)N
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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