2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide

C12H14ClN5O — CID 28783444

IUPAC2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
SMILESNc1n[nH]c(CC(=O)NCCc2ccccc2Cl)n1
InChIInChI=1S/C12H14ClN5O/c13-9-4-2-1-3-8(9)5-6-15-11(19)7-10-16-12(14)18-17-10/h1-4H,5-7H2,(H,15,19)(H3,14,16,17,18)
InChIKeyVWIWKUCWHITRBU-UHFFFAOYSA-N
MW279.73 g/mol
LogP0.94
Rot. Bonds5

About 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide

2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide (PubChem CID 28783444) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
PubChem CID28783444
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
SMILESNc1n[nH]c(CC(=O)NCCc2ccccc2Cl)n1
InChIInChI=1S/C12H14ClN5O/c13-9-4-2-1-3-8(9)5-6-15-11(19)7-10-16-12(14)18-17-10/h1-4H,5-7H2,(H,15,19)(H3,14,16,17,18)
InChIKeyVWIWKUCWHITRBU-UHFFFAOYSA-N
XLogP0.94
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine
CID 3310784
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066
N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide
CID 108814900
N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide
CID 112529427
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 71694697
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,2-difluoro-2-[2-(trifluoromethyl)phenyl]acetamide
CID 166244557
4-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 86853299
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2-chloro-5-pyrazol-1-ylbenzamide
CID 119074001

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide (CID 28783444) is 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide is Nc1n[nH]c(CC(=O)NCCc2ccccc2Cl)n1.
What is the InChIKey of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide?
The InChIKey is VWIWKUCWHITRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c13-9-4-2-1-3-8(9)5-6-15-11(19)7-10-16-12(14)18-17-10/h1-4H,5-7H2,(H,15,19)(H3,14,16,17,18).
What are the key properties of 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide?
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide has a molecular weight of 279.73 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 28783444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).