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

C12H20N4O — CID 137015090

IUPAC2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(C2CCCCN2)nn1C1CCCC1
InChIInChI=1S/C12H20N4O/c17-12-14-11(10-7-3-4-8-13-10)15-16(12)9-5-1-2-6-9/h9-10,13H,1-8H2,(H,14,15,17)
InChIKeyIKMMDUOTVFSLGE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.50
Rot. Bonds2

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

2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one (PubChem CID 137015090) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one
PubChem CID137015090
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(C2CCCCN2)nn1C1CCCC1
InChIInChI=1S/C12H20N4O/c17-12-14-11(10-7-3-4-8-13-10)15-16(12)9-5-1-2-6-9/h9-10,13H,1-8H2,(H,14,15,17)
InChIKeyIKMMDUOTVFSLGE-UHFFFAOYSA-N
XLogP1.50
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride
CID 139026889
2-cyclobutyl-5-(pyrrolidin-2-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136999578
2-(1-cyclobutyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
CID 136982050
(2R)-2-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine
CID 104915223
1-methyl-6-piperidin-2-ylpyrimidine-2,4-dione
CID 115026341
6-piperidin-2-yl-1H-pyrimidin-2-one
CID 83846397
3-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)propanoic acid
CID 137015126
2-cyclobutyl-5-(pyrrolidin-3-ylmethyl)-4H-1,2,4-triazol-3-one
CID 136999577
2-(1H-1,2,4-triazol-5-yl)piperidine
CID 61361223
1-cyclopentyl-5-pyrrolidin-2-ylimidazole
CID 114703551
2-(1-cyclopropyl-5-oxo-4H-1,2,4-triazol-3-yl)acetic acid
CID 136966019
2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
CID 104915236

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one (CID 137015090) is 2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one is O=c1[nH]c(C2CCCCN2)nn1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one?
The InChIKey is IKMMDUOTVFSLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c17-12-14-11(10-7-3-4-8-13-10)15-16(12)9-5-1-2-6-9/h9-10,13H,1-8H2,(H,14,15,17).
What are the key properties of 2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one?
2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one has a molecular weight of 236.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-piperidin-2-yl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 137015090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).