5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C19H22N4O2 — CID 51352640

IUPAC5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COCC2CCCCC2)nc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C19H22N4O2/c24-17-11-16(13-25-12-14-7-3-1-4-8-14)20-19-21-18(22-23(17)19)15-9-5-2-6-10-15/h2,5-6,9-11,14H,1,3-4,7-8,12-13H2,(H,20,21,22)
InChIKeyWQFYKVCLDUYILW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.18
Rot. Bonds5

About 5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 51352640) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID51352640
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(COCC2CCCCC2)nc2nc(-c3ccccc3)[nH]n12
InChIInChI=1S/C19H22N4O2/c24-17-11-16(13-25-12-14-7-3-1-4-8-14)20-19-21-18(22-23(17)19)15-9-5-2-6-10-15/h2,5-6,9-11,14H,1,3-4,7-8,12-13H2,(H,20,21,22)
InChIKeyWQFYKVCLDUYILW-UHFFFAOYSA-N
XLogP3.18
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 51352640) is 5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(COCC2CCCCC2)nc2nc(-c3ccccc3)[nH]n12.
What is the InChIKey of 5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WQFYKVCLDUYILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-17-11-16(13-25-12-14-7-3-1-4-8-14)20-19-21-18(22-23(17)19)15-9-5-2-6-10-15/h2,5-6,9-11,14H,1,3-4,7-8,12-13H2,(H,20,21,22).
What are the key properties of 5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 338.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxymethyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 51352640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).