2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one

C10H7N6O- — CID 59376718

IUPAC2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILES[2H]c1nc2c(C([2H])([2H])[2H])ccc([2H])n2c(=O)c1-c1nnn[n-]1
InChIInChI=1S/C10H7N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3/q-1/i1D3,4D,5D
InChIKeyRHYDWXFLAVMPIA-CLHTXULSSA-N
MW232.24 g/mol
LogP-0.19
Rot. Bonds2

About 2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one

2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 59376718) has the molecular formula C10H7N6O- and a molecular weight of 232.24 g/mol. Its IUPAC name is 2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID59376718
Molecular FormulaC10H7N6O-
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one
SMILES[2H]c1nc2c(C([2H])([2H])[2H])ccc([2H])n2c(=O)c1-c1nnn[n-]1
InChIInChI=1S/C10H7N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3/q-1/i1D3,4D,5D
InChIKeyRHYDWXFLAVMPIA-CLHTXULSSA-N
XLogP-0.19
TPSA87.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

Pemirolast
CID 57697
Pemirolast Potassium
CID 443866
9-Methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 23257217
4H-Pyrido[1,2-a]pyrimidin-4-one, 9-methyl-3-(2H-tetrazol-5-yl)-, potassium salt (1:1)
CID 9816805
Pemirolast sodium
CID 23679712
9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one
CID 146162151
9-Methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 10199311
3-(1H-tetrazol-5-yl)4H-pyrido[1,2-a]pyrimidin-4-one
CID 11499481
7-n-Butyl-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 11499998
7-Ethyl-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 11543254
4H-Pyrido[1,2-a]pyrimidin-4-one, 7-methyl-3-(1H-tetrazol-5-yl)-
CID 11586649
7,9-Dimethyl-3-(2H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 11593922

Frequently Asked Questions

What is the IUPAC name of 2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 59376718) is 2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one is [2H]c1nc2c(C([2H])([2H])[2H])ccc([2H])n2c(=O)c1-c1nnn[n-]1.
What is the InChIKey of 2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RHYDWXFLAVMPIA-CLHTXULSSA-N. The full InChI is InChI=1S/C10H7N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3/q-1/i1D3,4D,5D.
What are the key properties of 2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one?
2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 232.24 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dideuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59376718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).