2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide

C13H16ClN5O — CID 106227786

IUPAC2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
SMILESCCC(N)c1cn(CC(=O)Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C13H16ClN5O/c1-2-11(15)12-7-19(18-17-12)8-13(20)16-10-5-3-4-9(14)6-10/h3-7,11H,2,8,15H2,1H3,(H,16,20)
InChIKeyBVESAYUFENVHKS-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.98
Rot. Bonds5

About 2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide

2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 106227786) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
PubChem CID106227786
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
SMILESCCC(N)c1cn(CC(=O)Nc2cccc(Cl)c2)nn1
InChIInChI=1S/C13H16ClN5O/c1-2-11(15)12-7-19(18-17-12)8-13(20)16-10-5-3-4-9(14)6-10/h3-7,11H,2,8,15H2,1H3,(H,16,20)
InChIKeyBVESAYUFENVHKS-UHFFFAOYSA-N
XLogP1.98
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3-chloroanilino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112521123
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 106228283
N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521121
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
2-[4-(1-aminoethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 114419901
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106228504
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595
N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80742856
2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
CID 79108893
2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 106227941
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide (CID 106227786) is 2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide is CCC(N)c1cn(CC(=O)Nc2cccc(Cl)c2)nn1.
What is the InChIKey of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is BVESAYUFENVHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-2-11(15)12-7-19(18-17-12)8-13(20)16-10-5-3-4-9(14)6-10/h3-7,11H,2,8,15H2,1H3,(H,16,20).
What are the key properties of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide?
2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 293.76 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 106227786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).