Chemical ID: 3993578

COC(=O)c1nc([nH]n1)N
Chemical ID:
3993578
Name [?]:
methyl 5-amino-1H-1,2,4-triazole-3-carboxylate
SMILES [?]:
COC(=O)c1nc([nH]n1)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C4H6N4O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.36693
Area:296.674
Solvation:-2.04991
Coulombic:-54.3592
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:142.116
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:-0.13
LogP (Chemaxon):0.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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