N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide

C13H22N4O — CID 45199342

IUPACN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)c1nncn1C(C)C
InChIInChI=1S/C13H22N4O/c1-9(2)17-8-14-16-12(17)10(3)15-13(18)11-6-4-5-7-11/h8-11H,4-7H2,1-3H3,(H,15,18)
InChIKeyLBQWWCUEXVVKCH-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.23
Rot. Bonds4

About N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide

N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide (PubChem CID 45199342) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
PubChem CID45199342
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)c1nncn1C(C)C
InChIInChI=1S/C13H22N4O/c1-9(2)17-8-14-16-12(17)10(3)15-13(18)11-6-4-5-7-11/h8-11H,4-7H2,1-3H3,(H,15,18)
InChIKeyLBQWWCUEXVVKCH-UHFFFAOYSA-N
XLogP2.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide (CID 45199342) is N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide is CC(NC(=O)C1CCCC1)c1nncn1C(C)C.
What is the InChIKey of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is LBQWWCUEXVVKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)17-8-14-16-12(17)10(3)15-13(18)11-6-4-5-7-11/h8-11H,4-7H2,1-3H3,(H,15,18).
What are the key properties of N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide?
N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 45199342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).