1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide

C17H24N6O2 — CID 56898166

IUPAC1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)N(C)CCc2ccccn2)nn1
InChIInChI=1S/C17H24N6O2/c1-4-22(5-2)16(24)13-23-12-15(19-20-23)17(25)21(3)11-9-14-8-6-7-10-18-14/h6-8,10,12H,4-5,9,11,13H2,1-3H3
InChIKeyNGRNAKSDPZXDRR-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.86
Rot. Bonds8

About 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide

1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide (PubChem CID 56898166) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide
PubChem CID56898166
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)N(C)CCc2ccccn2)nn1
InChIInChI=1S/C17H24N6O2/c1-4-22(5-2)16(24)13-23-12-15(19-20-23)17(25)21(3)11-9-14-8-6-7-10-18-14/h6-8,10,12H,4-5,9,11,13H2,1-3H3
InChIKeyNGRNAKSDPZXDRR-UHFFFAOYSA-N
XLogP0.86
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide (CID 56898166) is 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide is CCN(CC)C(=O)Cn1cc(C(=O)N(C)CCc2ccccn2)nn1.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is NGRNAKSDPZXDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-4-22(5-2)16(24)13-23-12-15(19-20-23)17(25)21(3)11-9-14-8-6-7-10-18-14/h6-8,10,12H,4-5,9,11,13H2,1-3H3.
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide?
1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-(2-pyridin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 56898166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).