9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one

C10H10N6O — CID 146162151

IUPAC9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1=CC=CN2C(=O)C(c3nn[nH]n3)CN=C12
InChIInChI=1S/C10H10N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-4,7H,5H2,1H3,(H,12,13,14,15)
InChIKeyBMJVYVRVLCFGAO-UHFFFAOYSA-N
MW230.23 g/mol
LogP-0.00
Rot. Bonds1

About 9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one

9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 146162151) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one
PubChem CID146162151
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1=CC=CN2C(=O)C(c3nn[nH]n3)CN=C12
InChIInChI=1S/C10H10N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-4,7H,5H2,1H3,(H,12,13,14,15)
InChIKeyBMJVYVRVLCFGAO-UHFFFAOYSA-N
XLogP-0.00
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one (CID 146162151) is 9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one is CC1=CC=CN2C(=O)C(c3nn[nH]n3)CN=C12.
What is the InChIKey of 9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BMJVYVRVLCFGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-4,7H,5H2,1H3,(H,12,13,14,15).
What are the key properties of 9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one?
9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 230.23 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 146162151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).