4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one

C13H22N4O — CID 86820472

IUPAC4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCNCC2)n(C2CCCC2)c1=O
InChIInChI=1S/C13H22N4O/c1-16-13(18)17(11-4-2-3-5-11)12(15-16)10-6-8-14-9-7-10/h10-11,14H,2-9H2,1H3
InChIKeyMXRJXOWXXINVQJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.16
Rot. Bonds2

About 4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one

4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one (PubChem CID 86820472) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one
PubChem CID86820472
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCNCC2)n(C2CCCC2)c1=O
InChIInChI=1S/C13H22N4O/c1-16-13(18)17(11-4-2-3-5-11)12(15-16)10-6-8-14-9-7-10/h10-11,14H,2-9H2,1H3
InChIKeyMXRJXOWXXINVQJ-UHFFFAOYSA-N
XLogP1.16
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one?
The IUPAC name of 4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one (CID 86820472) is 4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one?
The canonical SMILES for 4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one is Cn1nc(C2CCNCC2)n(C2CCCC2)c1=O.
What is the InChIKey of 4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one?
The InChIKey is MXRJXOWXXINVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-13(18)17(11-4-2-3-5-11)12(15-16)10-6-8-14-9-7-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one?
4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one has a molecular weight of 250.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 86820472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).