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

C9H5ClN6O — CID 11601249

IUPAC7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2nn[nH]n2)cnc2ccc(Cl)cn12
InChIInChI=1S/C9H5ClN6O/c10-5-1-2-7-11-3-6(8-12-14-15-13-8)9(17)16(7)4-5/h1-4H,(H,12,13,14,15)
InChIKeyXWVOMMSYXBPYDD-UHFFFAOYSA-N
MW248.63 g/mol
LogP0.53
Rot. Bonds1

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

7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 11601249) has the molecular formula C9H5ClN6O and a molecular weight of 248.63 g/mol. Its IUPAC name is 7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID11601249
Molecular FormulaC9H5ClN6O
Molecular Weight248.63 g/mol
Exact Mass248.02
IUPAC Name7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2nn[nH]n2)cnc2ccc(Cl)cn12
InChIInChI=1S/C9H5ClN6O/c10-5-1-2-7-11-3-6(8-12-14-15-13-8)9(17)16(7)4-5/h1-4H,(H,12,13,14,15)
InChIKeyXWVOMMSYXBPYDD-UHFFFAOYSA-N
XLogP0.53
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.63
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 11601249) is 7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is O=c1c(-c2nn[nH]n2)cnc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XWVOMMSYXBPYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN6O/c10-5-1-2-7-11-3-6(8-12-14-15-13-8)9(17)16(7)4-5/h1-4H,(H,12,13,14,15).
What are the key properties of 7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 248.63 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 11601249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).