methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate

C11H12N6O3 — CID 62808434

IUPACmethyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)c2nc(N)n[nH]2)cc1
InChIInChI=1S/C11H12N6O3/c1-20-11(19)14-7-4-2-6(3-5-7)13-9(18)8-15-10(12)17-16-8/h2-5H,1H3,(H,13,18)(H,14,19)(H3,12,15,16,17)
InChIKeyFBNFHSJWBZLZCG-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.82
Rot. Bonds3

About methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate

methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate (PubChem CID 62808434) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate
PubChem CID62808434
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Namemethyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)c2nc(N)n[nH]2)cc1
InChIInChI=1S/C11H12N6O3/c1-20-11(19)14-7-4-2-6(3-5-7)13-9(18)8-15-10(12)17-16-8/h2-5H,1H3,(H,13,18)(H,14,19)(H3,12,15,16,17)
InChIKeyFBNFHSJWBZLZCG-UHFFFAOYSA-N
XLogP0.82
TPSA135.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806146
3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807336
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808582
3-amino-N-(1H-indazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807012
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807917
3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62806279
3-amino-N-[3-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807912
3-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 114052912
3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 107680298
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808092
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807870

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate (CID 62808434) is methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)c2nc(N)n[nH]2)cc1.
What is the InChIKey of methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate?
The InChIKey is FBNFHSJWBZLZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-20-11(19)14-7-4-2-6(3-5-7)13-9(18)8-15-10(12)17-16-8/h2-5H,1H3,(H,13,18)(H,14,19)(H3,12,15,16,17).
What are the key properties of methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate?
methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate has a molecular weight of 276.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 62808434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).