2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H11ClN6O — CID 47010945

IUPAC2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cn2nnc(-c3cccc(Cl)c3)n2)nc2ccccn12
InChIInChI=1S/C16H11ClN6O/c17-12-5-3-4-11(8-12)16-19-21-23(20-16)10-13-9-15(24)22-7-2-1-6-14(22)18-13/h1-9H,10H2
InChIKeyMDMRSHMNYGKCDP-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.05
Rot. Bonds3

About 2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47010945) has the molecular formula C16H11ClN6O and a molecular weight of 338.76 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47010945
Molecular FormulaC16H11ClN6O
Molecular Weight338.76 g/mol
Exact Mass338.07
IUPAC Name2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cn2nnc(-c3cccc(Cl)c3)n2)nc2ccccn12
InChIInChI=1S/C16H11ClN6O/c17-12-5-3-4-11(8-12)16-19-21-23(20-16)10-13-9-15(24)22-7-2-1-6-14(22)18-13/h1-9H,10H2
InChIKeyMDMRSHMNYGKCDP-UHFFFAOYSA-N
XLogP2.05
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 47010945) is 2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(Cn2nnc(-c3cccc(Cl)c3)n2)nc2ccccn12.
What is the InChIKey of 2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MDMRSHMNYGKCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6O/c17-12-5-3-4-11(8-12)16-19-21-23(20-16)10-13-9-15(24)22-7-2-1-6-14(22)18-13/h1-9H,10H2.
What are the key properties of 2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 338.76 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47010945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).