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

C10H9Cl2N5O — CID 14662861

IUPAC5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
SMILESNC(=O)c1nnn(Cc2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C10H9Cl2N5O/c11-6-2-1-5(7(12)3-6)4-17-9(13)8(10(14)18)15-16-17/h1-3H,4,13H2,(H2,14,18)
InChIKeyNZTFFEWGDOWPKL-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.31
Rot. Bonds3

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

5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide (PubChem CID 14662861) has the molecular formula C10H9Cl2N5O and a molecular weight of 286.12 g/mol. Its IUPAC name is 5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
PubChem CID14662861
Molecular FormulaC10H9Cl2N5O
Molecular Weight286.12 g/mol
Exact Mass285.02
IUPAC Name5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
SMILESNC(=O)c1nnn(Cc2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C10H9Cl2N5O/c11-6-2-1-5(7(12)3-6)4-17-9(13)8(10(14)18)15-16-17/h1-3H,4,13H2,(H2,14,18)
InChIKeyNZTFFEWGDOWPKL-UHFFFAOYSA-N
XLogP1.31
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 2815312
5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
CID 46506477
5-amino-1-[[3,5-dichloro-4-(4-chlorophenyl)phenyl]methyl]triazole-4-carboxamide
CID 118862569
3-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-amine
CID 46397595
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
1-[(2,4-dichlorophenyl)methyl]-5-(2-methylpropyl)triazole-4-carboxylic acid
CID 102645678
5-amino-1-[(2-iodophenyl)methyl]triazole-4-carboxamide
CID 138591938
5-amino-1-[(4-chlorophenyl)methyl]triazole-4-carboxylic acid
CID 46948721
5-amino-1-[(4-chloro-3-cyanophenyl)methyl]triazole-4-carboxamide
CID 14033032
5-amino-1-[[3,5-dichloro-4-(4-iodobenzoyl)phenyl]methyl]triazole-4-carboxamide
CID 15065230
5-amino-1-[[4-(4-bromobenzoyl)-3,5-dichlorophenyl]methyl]triazole-4-carboxamide
CID 15065228
methyl 4-[4-[(5-amino-4-carbamoyltriazol-1-yl)methyl]-2,6-dichlorobenzoyl]benzoate
CID 15065236

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide (CID 14662861) is 5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide is NC(=O)c1nnn(Cc2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of 5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide?
The InChIKey is NZTFFEWGDOWPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O/c11-6-2-1-5(7(12)3-6)4-17-9(13)8(10(14)18)15-16-17/h1-3H,4,13H2,(H2,14,18).
What are the key properties of 5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide?
5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide has a molecular weight of 286.12 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 14662861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).