Chemical ID: 4085055

c1cc(oc1)C(=O)n2cnc(n2)N
Chemical ID:
4085055
Name [?]:
(3-amino-1,2,4-triazol-1-yl)-(2-furyl)methanone
SMILES [?]:
c1cc(oc1)C(=O)n2cnc(n2)N
InChi [?]:
InChI=1/C7H6N4O2/c8-7-9-4-11(10-7)6(12)5-2-1-3-13-5/h1-4H,(H2,8,10)
InChi Info:
AuxInfo=1/1/N:1,2,5,9,3,6,11,13,10,12,8,7,4/rA:13nCCCOCCONCNCNN/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;d9;s10;s8d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6N4O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.83506
Area:334.486
Solvation:-2.52708
Coulombic:-46.6184
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:178.148
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:-0.42
LogP (Chemaxon):-0.33

Name Annotations

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Descriptor Annotations

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