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

C16H10Cl2N6O — CID 67812606

IUPAC3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2nnn(Cc3ccc(Cl)c(Cl)c3)n2)cnc2ccccn12
InChIInChI=1S/C16H10Cl2N6O/c17-12-5-4-10(7-13(12)18)9-24-21-15(20-22-24)11-8-19-14-3-1-2-6-23(14)16(11)25/h1-8H,9H2
InChIKeyASOGUKYQAMKMGU-UHFFFAOYSA-N
MW373.20 g/mol
LogP2.70
Rot. Bonds3

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

3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 67812606) has the molecular formula C16H10Cl2N6O and a molecular weight of 373.20 g/mol. Its IUPAC name is 3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID67812606
Molecular FormulaC16H10Cl2N6O
Molecular Weight373.20 g/mol
Exact Mass372.03
IUPAC Name3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2nnn(Cc3ccc(Cl)c(Cl)c3)n2)cnc2ccccn12
InChIInChI=1S/C16H10Cl2N6O/c17-12-5-4-10(7-13(12)18)9-24-21-15(20-22-24)11-8-19-14-3-1-2-6-23(14)16(11)25/h1-8H,9H2
InChIKeyASOGUKYQAMKMGU-UHFFFAOYSA-N
XLogP2.70
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one (CID 67812606) is 3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2nnn(Cc3ccc(Cl)c(Cl)c3)n2)cnc2ccccn12.
What is the InChIKey of 3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ASOGUKYQAMKMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N6O/c17-12-5-4-10(7-13(12)18)9-24-21-15(20-22-24)11-8-19-14-3-1-2-6-23(14)16(11)25/h1-8H,9H2.
What are the key properties of 3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one?
3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 373.20 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,4-dichlorophenyl)methyl]tetrazol-5-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67812606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).