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

C16H11ClN6O — CID 56624535

IUPAC3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2nnnn2Cc2ccc(Cl)cc2)cnc2ccccn12
InChIInChI=1S/C16H11ClN6O/c17-12-6-4-11(5-7-12)10-23-15(19-20-21-23)13-9-18-14-3-1-2-8-22(14)16(13)24/h1-9H,10H2
InChIKeyLAFBCSYHONXKHK-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.05
Rot. Bonds3

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

3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56624535) has the molecular formula C16H11ClN6O and a molecular weight of 338.76 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56624535
Molecular FormulaC16H11ClN6O
Molecular Weight338.76 g/mol
Exact Mass338.07
IUPAC Name3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2nnnn2Cc2ccc(Cl)cc2)cnc2ccccn12
InChIInChI=1S/C16H11ClN6O/c17-12-6-4-11(5-7-12)10-23-15(19-20-21-23)13-9-18-14-3-1-2-8-22(14)16(13)24/h1-9H,10H2
InChIKeyLAFBCSYHONXKHK-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 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one (CID 56624535) is 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2nnnn2Cc2ccc(Cl)cc2)cnc2ccccn12.
What is the InChIKey of 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LAFBCSYHONXKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6O/c17-12-6-4-11(5-7-12)10-23-15(19-20-21-23)13-9-18-14-3-1-2-8-22(14)16(13)24/h1-9H,10H2.
What are the key properties of 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]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 3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56624535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).