2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C17H13ClN6O — CID 46583032

IUPAC2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(Cn3nnc(-c4ccc(Cl)cc4)n3)nc12
InChIInChI=1S/C17H13ClN6O/c1-11-3-2-8-23-15(25)9-14(19-17(11)23)10-24-21-16(20-22-24)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3
InChIKeyCOUBECZFZJHELD-UHFFFAOYSA-N
MW352.79 g/mol
LogP2.36
Rot. Bonds3

About 2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 46583032) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID46583032
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC Name2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(Cn3nnc(-c4ccc(Cl)cc4)n3)nc12
InChIInChI=1S/C17H13ClN6O/c1-11-3-2-8-23-15(25)9-14(19-17(11)23)10-24-21-16(20-22-24)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3
InChIKeyCOUBECZFZJHELD-UHFFFAOYSA-N
XLogP2.36
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 46583032) is 2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(Cn3nnc(-c4ccc(Cl)cc4)n3)nc12.
What is the InChIKey of 2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is COUBECZFZJHELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c1-11-3-2-8-23-15(25)9-14(19-17(11)23)10-24-21-16(20-22-24)12-4-6-13(18)7-5-12/h2-9H,10H2,1H3.
What are the key properties of 2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 352.79 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 46583032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).