Chemical ID: 7100031

c1ccn(c1)c2[nH]c(nn2)C(=O)O
Chemical ID:
7100031
Name [?]:
5-pyrrol-1-yl-4H-1,2,4-triazole-3-carboxylic acid
SMILES [?]:
c1ccn(c1)c2[nH]c(nn2)C(=O)O
InChi [?]:
InChI=1/C7H6N4O2/c12-6(13)5-8-7(10-9-5)11-3-1-2-4-11/h1-4H,(H,12,13)(H,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,8,11,6,7,9,10,4,12,13/E:(1,2)(3,4)(12,13)/rA:13nCCCNCCNCNNCOO/rB:s1;d2;s3;d1s4;s4;s6;s7;d8;d6s9;s8;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N4O2
All Atoms:19
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.32432
Area:339.844
Solvation:-2.17178
Coulombic:-51.1721
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:178.148
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.84
LogP (Chemaxon):0.03

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Descriptor Annotations

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