3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one

C12H12N6O — CID 19001407

IUPAC3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCn1nnc(-c2cnc3cccc(C)n3c2=O)n1
InChIInChI=1S/C12H12N6O/c1-3-17-15-11(14-16-17)9-7-13-10-6-4-5-8(2)18(10)12(9)19/h4-7H,3H2,1-2H3
InChIKeyMOVXVUJHCMWGKB-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.68
Rot. Bonds2

About 3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one

3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 19001407) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID19001407
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCn1nnc(-c2cnc3cccc(C)n3c2=O)n1
InChIInChI=1S/C12H12N6O/c1-3-17-15-11(14-16-17)9-7-13-10-6-4-5-8(2)18(10)12(9)19/h4-7H,3H2,1-2H3
InChIKeyMOVXVUJHCMWGKB-UHFFFAOYSA-N
XLogP0.68
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 19001407) is 3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one is CCn1nnc(-c2cnc3cccc(C)n3c2=O)n1.
What is the InChIKey of 3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MOVXVUJHCMWGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-3-17-15-11(14-16-17)9-7-13-10-6-4-5-8(2)18(10)12(9)19/h4-7H,3H2,1-2H3.
What are the key properties of 3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one?
3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 256.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 19001407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).