3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide

C11H18N4O — CID 71917339

IUPAC3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1ncnc1NC(=O)CCC1CCCC1
InChIInChI=1S/C11H18N4O/c1-15-11(12-8-13-15)14-10(16)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,12,13,14,16)
InChIKeyOALWVBULRRMUFR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.72
Rot. Bonds4

About 3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide

3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 71917339) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID71917339
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1ncnc1NC(=O)CCC1CCCC1
InChIInChI=1S/C11H18N4O/c1-15-11(12-8-13-15)14-10(16)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,12,13,14,16)
InChIKeyOALWVBULRRMUFR-UHFFFAOYSA-N
XLogP1.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide (CID 71917339) is 3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide is Cn1ncnc1NC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is OALWVBULRRMUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-11(12-8-13-15)14-10(16)7-6-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,12,13,14,16).
What are the key properties of 3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide?
3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 71917339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).