2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide

C13H16ClN5O — CID 82202007

IUPAC2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide
SMILESCc1c(CN)nnn1C(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN5O/c1-8-12(7-15)17-18-19(8)9(2)13(20)16-11-5-3-10(14)4-6-11/h3-6,9H,7,15H2,1-2H3,(H,16,20)
InChIKeyOIZUORYIIHLVEM-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.90
Rot. Bonds4

About 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide

2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide (PubChem CID 82202007) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide
PubChem CID82202007
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide
SMILESCc1c(CN)nnn1C(C)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClN5O/c1-8-12(7-15)17-18-19(8)9(2)13(20)16-11-5-3-10(14)4-6-11/h3-6,9H,7,15H2,1-2H3,(H,16,20)
InChIKeyOIZUORYIIHLVEM-UHFFFAOYSA-N
XLogP1.90
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-(4-formyl-5-methyltriazol-1-yl)propanamide
CID 82202006
2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(2-methylphenyl)propanamide
CID 82201985
3-[1-(4-chloroanilino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 82194760
1-(1-anilino-1-oxopropan-2-yl)-5-methyltriazole-4-carboxamide
CID 82201974
2-(4-formyl-5-methyltriazol-1-yl)-N-(4-methylphenyl)propanamide
CID 82201976
(2S)-N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902730
N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079706
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
2-(4-cyano-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 82202011
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
N-(4-chlorophenyl)-2-hydroxy-3-methylbutanamide
CID 117059282

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide?
The IUPAC name of 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide (CID 82202007) is 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide is Cc1c(CN)nnn1C(C)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide?
The InChIKey is OIZUORYIIHLVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-8-12(7-15)17-18-19(8)9(2)13(20)16-11-5-3-10(14)4-6-11/h3-6,9H,7,15H2,1-2H3,(H,16,20).
What are the key properties of 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide?
2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide has a molecular weight of 293.76 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-methyltriazol-1-yl]-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 82202007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).