5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide

C10H10ClN5O — CID 2815312

IUPAC5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide
SMILESNC(=O)c1nnn(Cc2ccccc2Cl)c1N
InChIInChI=1S/C10H10ClN5O/c11-7-4-2-1-3-6(7)5-16-9(12)8(10(13)17)14-15-16/h1-4H,5,12H2,(H2,13,17)
InChIKeyYNHMYRUNFIQMPN-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.66
Rot. Bonds3

About 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide

5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide (PubChem CID 2815312) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide
PubChem CID2815312
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide
SMILESNC(=O)c1nnn(Cc2ccccc2Cl)c1N
InChIInChI=1S/C10H10ClN5O/c11-7-4-2-1-3-6(7)5-16-9(12)8(10(13)17)14-15-16/h1-4H,5,12H2,(H2,13,17)
InChIKeyYNHMYRUNFIQMPN-UHFFFAOYSA-N
XLogP0.66
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
CID 14662861
5-amino-1-[(2-iodophenyl)methyl]triazole-4-carboxamide
CID 138591938
5-amino-1-benzyl-N-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 7385903
5-amino-1-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)triazole-4-carboxamide
CID 7386091
5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide
CID 7386108
1-[(2-chlorophenyl)methyl]-5-methyltriazole-4-carboxylic acid;hydrochloride
CID 70416921
ethyl 5-(chloromethyl)-1-[(2-chlorophenyl)methyl]triazole-4-carboxylate
CID 103109438
N-[5-carbamoyl-3-[(2-chlorophenyl)methyl]triazol-4-yl]-4-methylpiperazine-1-carboxamide
CID 70518412
1-[(2-chlorophenyl)methyl]-5-cyclopropyltriazole-4-carboxylic acid
CID 55029564
1-[(2-chlorophenyl)methyl]-5-methoxytriazole-4-carboxylic acid;hydrochloride
CID 70416302
5-amino-1-[[3,5-dichloro-4-(4-chlorophenyl)phenyl]methyl]triazole-4-carboxamide
CID 118862569
1-(5-amino-1-benzyltriazol-4-yl)ethanone
CID 130018260

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide (CID 2815312) is 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide is NC(=O)c1nnn(Cc2ccccc2Cl)c1N.
What is the InChIKey of 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide?
The InChIKey is YNHMYRUNFIQMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-7-4-2-1-3-6(7)5-16-9(12)8(10(13)17)14-15-16/h1-4H,5,12H2,(H2,13,17).
What are the key properties of 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide?
5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide has a molecular weight of 251.68 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 2815312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).