4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one

C19H25N5O — CID 72860147

IUPAC4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2nc(-c3ccccc3)nn2C2CCCCC2)CCN1
InChIInChI=1S/C19H25N5O/c25-18-14-23(12-11-20-18)13-17-21-19(15-7-3-1-4-8-15)22-24(17)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,20,25)
InChIKeySVZCEIGUXYJPCA-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.38
Rot. Bonds4

About 4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one

4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one (PubChem CID 72860147) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one
PubChem CID72860147
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2nc(-c3ccccc3)nn2C2CCCCC2)CCN1
InChIInChI=1S/C19H25N5O/c25-18-14-23(12-11-20-18)13-17-21-19(15-7-3-1-4-8-15)22-24(17)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,20,25)
InChIKeySVZCEIGUXYJPCA-UHFFFAOYSA-N
XLogP2.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one (CID 72860147) is 4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one is O=C1CN(Cc2nc(-c3ccccc3)nn2C2CCCCC2)CCN1.
What is the InChIKey of 4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one?
The InChIKey is SVZCEIGUXYJPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-18-14-23(12-11-20-18)13-17-21-19(15-7-3-1-4-8-15)22-24(17)16-9-5-2-6-10-16/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,20,25).
What are the key properties of 4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one?
4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)methyl]piperazin-2-one is sourced from PubChem (CID 72860147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).