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

C10H16N4O — CID 42891935

IUPACN-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1)n1cncn1
InChIInChI=1S/C10H16N4O/c1-8(14-7-11-6-12-14)10(15)13-9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,13,15)
InChIKeyBNPNEXFZVMCWCM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.90
Rot. Bonds3

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

N-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42891935) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID42891935
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1)n1cncn1
InChIInChI=1S/C10H16N4O/c1-8(14-7-11-6-12-14)10(15)13-9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,13,15)
InChIKeyBNPNEXFZVMCWCM-UHFFFAOYSA-N
XLogP0.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide (CID 42891935) is N-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NC1CCCC1)n1cncn1.
What is the InChIKey of N-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is BNPNEXFZVMCWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8(14-7-11-6-12-14)10(15)13-9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,13,15).
What are the key properties of N-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide?
N-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 208.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42891935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).