2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

C11H10N6O — CID 10131013

IUPAC2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2cccc(C)n2c(=O)c1-c1nn[nH]n1
InChIInChI=1S/C11H10N6O/c1-6-4-3-5-8-12-7(2)9(11(18)17(6)8)10-13-15-16-14-10/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyMXFFMUOOGAWTHQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.49
Rot. Bonds1

About 2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 10131013) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID10131013
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2cccc(C)n2c(=O)c1-c1nn[nH]n1
InChIInChI=1S/C11H10N6O/c1-6-4-3-5-8-12-7(2)9(11(18)17(6)8)10-13-15-16-14-10/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyMXFFMUOOGAWTHQ-UHFFFAOYSA-N
XLogP0.49
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 10131013) is 2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1nc2cccc(C)n2c(=O)c1-c1nn[nH]n1.
What is the InChIKey of 2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MXFFMUOOGAWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-6-4-3-5-8-12-7(2)9(11(18)17(6)8)10-13-15-16-14-10/h3-5H,1-2H3,(H,13,14,15,16).
What are the key properties of 2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 242.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10131013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).