methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate

C12H12N4O3 — CID 43066587

IUPACmethyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C12H12N4O3/c1-19-11(17)7-13-12(18)10-8-16(15-14-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,18)
InChIKeyNRSABDOASPLJIZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.17
Rot. Bonds4

About methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate

methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate (PubChem CID 43066587) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
PubChem CID43066587
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Namemethyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C12H12N4O3/c1-19-11(17)7-13-12(18)10-8-16(15-14-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,18)
InChIKeyNRSABDOASPLJIZ-UHFFFAOYSA-N
XLogP0.17
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
N-(2,3-dihydroxy-2-methylpropyl)-1-phenyltriazole-4-carboxamide
CID 66169267
N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide
CID 103877146
N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyltriazole-4-carboxamide
CID 43066149
3-[(1-phenyltriazole-4-carbonyl)amino]butanoic acid
CID 43360787
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-phenyltriazole-4-carboxamide
CID 109380676
N-[(2,3-dimethoxyphenyl)methyl]-1-phenyltriazole-4-carboxamide
CID 46546722
2-methyl-2-[(1-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61261546
6-[(1-phenyltriazole-4-carbonyl)amino]hexanoic acid
CID 119220200

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate (CID 43066587) is methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate is COC(=O)CNC(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate?
The InChIKey is NRSABDOASPLJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-11(17)7-13-12(18)10-8-16(15-14-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,18).
What are the key properties of methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate?
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate has a molecular weight of 260.25 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 43066587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).