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

C10H8N6O — CID 11586649

IUPAC7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(-c3nn[nH]n3)c(=O)n2c1
InChIInChI=1S/C10H8N6O/c1-6-2-3-8-11-4-7(9-12-14-15-13-9)10(17)16(8)5-6/h2-5H,1H3,(H,12,13,14,15)
InChIKeyYTCLGSRITIFOKR-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.18
Rot. Bonds1

About 7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 11586649) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID11586649
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(-c3nn[nH]n3)c(=O)n2c1
InChIInChI=1S/C10H8N6O/c1-6-2-3-8-11-4-7(9-12-14-15-13-9)10(17)16(8)5-6/h2-5H,1H3,(H,12,13,14,15)
InChIKeyYTCLGSRITIFOKR-UHFFFAOYSA-N
XLogP0.18
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 11586649) is 7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(-c3nn[nH]n3)c(=O)n2c1.
What is the InChIKey of 7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YTCLGSRITIFOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c1-6-2-3-8-11-4-7(9-12-14-15-13-9)10(17)16(8)5-6/h2-5H,1H3,(H,12,13,14,15).
What are the key properties of 7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 228.22 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 11586649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).