1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide

C16H20ClN5O2 — CID 51099174

IUPAC1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1nc(C)n(-c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN5O2/c1-5-21(10-14(23)20(3)4)16(24)15-18-11(2)22(19-15)13-9-7-6-8-12(13)17/h6-9H,5,10H2,1-4H3
InChIKeyBUGZJWQGCMWLHH-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.78
Rot. Bonds5

About 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 51099174) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide
PubChem CID51099174
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1nc(C)n(-c2ccccc2Cl)n1
InChIInChI=1S/C16H20ClN5O2/c1-5-21(10-14(23)20(3)4)16(24)15-18-11(2)22(19-15)13-9-7-6-8-12(13)17/h6-9H,5,10H2,1-4H3
InChIKeyBUGZJWQGCMWLHH-UHFFFAOYSA-N
XLogP1.78
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide (CID 51099174) is 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide is CCN(CC(=O)N(C)C)C(=O)c1nc(C)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is BUGZJWQGCMWLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-5-21(10-14(23)20(3)4)16(24)15-18-11(2)22(19-15)13-9-7-6-8-12(13)17/h6-9H,5,10H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 51099174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).