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

C9H6N6O — CID 11499481

IUPAC3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2nn[nH]n2)cnc2ccccn12
InChIInChI=1S/C9H6N6O/c16-9-6(8-11-13-14-12-8)5-10-7-3-1-2-4-15(7)9/h1-5H,(H,11,12,13,14)
InChIKeyFDESMPVXUFITNN-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.13
Rot. Bonds1

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

3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 11499481) has the molecular formula C9H6N6O and a molecular weight of 214.19 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID11499481
Molecular FormulaC9H6N6O
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Name3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2nn[nH]n2)cnc2ccccn12
InChIInChI=1S/C9H6N6O/c16-9-6(8-11-13-14-12-8)5-10-7-3-1-2-4-15(7)9/h1-5H,(H,11,12,13,14)
InChIKeyFDESMPVXUFITNN-UHFFFAOYSA-N
XLogP-0.13
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 11499481) is 3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2nn[nH]n2)cnc2ccccn12.
What is the InChIKey of 3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FDESMPVXUFITNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6O/c16-9-6(8-11-13-14-12-8)5-10-7-3-1-2-4-15(7)9/h1-5H,(H,11,12,13,14).
What are the key properties of 3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 214.19 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 11499481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).