N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide

C13H16N4OS — CID 72717917

IUPACN-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)N(CCc2cccs2)C2CC2)nn1
InChIInChI=1S/C13H16N4OS/c1-16-9-12(14-15-16)13(18)17(10-4-5-10)7-6-11-3-2-8-19-11/h2-3,8-10H,4-7H2,1H3
InChIKeyDPIKMNSXNCLJHG-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.72
Rot. Bonds5

About N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide

N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide (PubChem CID 72717917) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
PubChem CID72717917
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)N(CCc2cccs2)C2CC2)nn1
InChIInChI=1S/C13H16N4OS/c1-16-9-12(14-15-16)13(18)17(10-4-5-10)7-6-11-3-2-8-19-11/h2-3,8-10H,4-7H2,1H3
InChIKeyDPIKMNSXNCLJHG-UHFFFAOYSA-N
XLogP1.72
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 90611064
2,5-dichloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzamide
CID 71781417
N-cyclopropyl-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 90496054
N-cyclopropyl-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461213
N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 90496092
6-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 62186849
N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide
CID 112735587
N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 47074872
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 90611073
2-methoxy-N-(oxan-4-yl)-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 90610942

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide (CID 72717917) is N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide is Cn1cc(C(=O)N(CCc2cccs2)C2CC2)nn1.
What is the InChIKey of N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The InChIKey is DPIKMNSXNCLJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-16-9-12(14-15-16)13(18)17(10-4-5-10)7-6-11-3-2-8-19-11/h2-3,8-10H,4-7H2,1H3.
What are the key properties of N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 72717917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).