N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide

C6H9N5O2 — CID 130519437

IUPACN-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(N)=O)n1
InChIInChI=1S/C6H9N5O2/c1-11-9-2-4(10-11)6(13)8-3-5(7)12/h2H,3H2,1H3,(H2,7,12)(H,8,13)
InChIKeyHLZYVEQBDSEESK-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.97
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide

N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide (PubChem CID 130519437) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide
PubChem CID130519437
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC NameN-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide
SMILESCn1ncc(C(=O)NCC(N)=O)n1
InChIInChI=1S/C6H9N5O2/c1-11-9-2-4(10-11)6(13)8-3-5(7)12/h2H,3H2,1H3,(H2,7,12)(H,8,13)
InChIKeyHLZYVEQBDSEESK-UHFFFAOYSA-N
XLogP-1.97
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-methyltriazole-4-carboxamide
CID 137244792
N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide
CID 130608801
N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide
CID 110691359
2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 110691373
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691406
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide
CID 126978139
2-methyl-N-pyrimidin-2-yltriazole-4-carboxamide
CID 110691520
2-methyl-N-[(6-methylpiperidin-3-yl)methyl]triazole-4-carboxamide
CID 112735578
N-[2-(hydroxymethyl)cyclohexyl]-2-methyltriazole-4-carboxamide
CID 114284665
N-(1,3-benzodioxol-5-ylmethyl)-2-methyltriazole-4-carboxamide
CID 110691382

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide (CID 130519437) is N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide is Cn1ncc(C(=O)NCC(N)=O)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide?
The InChIKey is HLZYVEQBDSEESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-11-9-2-4(10-11)6(13)8-3-5(7)12/h2H,3H2,1H3,(H2,7,12)(H,8,13).
What are the key properties of N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-methyltriazole-4-carboxamide is sourced from PubChem (CID 130519437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).