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

C13H14N6O — CID 11499998

IUPAC7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1ccc2ncc(-c3nn[nH]n3)c(=O)n2c1
InChIInChI=1S/C13H14N6O/c1-2-3-4-9-5-6-11-14-7-10(12-15-17-18-16-12)13(20)19(11)8-9/h5-8H,2-4H2,1H3,(H,15,16,17,18)
InChIKeyQXUSRPSBVXDWMF-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.22
Rot. Bonds4

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

7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 11499998) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID11499998
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1ccc2ncc(-c3nn[nH]n3)c(=O)n2c1
InChIInChI=1S/C13H14N6O/c1-2-3-4-9-5-6-11-14-7-10(12-15-17-18-16-12)13(20)19(11)8-9/h5-8H,2-4H2,1H3,(H,15,16,17,18)
InChIKeyQXUSRPSBVXDWMF-UHFFFAOYSA-N
XLogP1.22
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 11499998) is 7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is CCCCc1ccc2ncc(-c3nn[nH]n3)c(=O)n2c1.
What is the InChIKey of 7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QXUSRPSBVXDWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-2-3-4-9-5-6-11-14-7-10(12-15-17-18-16-12)13(20)19(11)8-9/h5-8H,2-4H2,1H3,(H,15,16,17,18).
What are the key properties of 7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 270.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 11499998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).