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

C10H7KN6O — CID 46841445

IUPACpotassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILES[2H]c1ccc(C)c2ncc(-c3nnn[n-]3)c(=O)n12.[K+]
InChIInChI=1S/C10H7N6O.K/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;+1/i4D;
InChIKeyNMMVKSMGBDRONO-BCVNIXSYSA-N
MW267.31 g/mol
LogP-3.18
Rot. Bonds1

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

potassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 46841445) has the molecular formula C10H7KN6O and a molecular weight of 267.31 g/mol. Its IUPAC name is potassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Namepotassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID46841445
Molecular FormulaC10H7KN6O
Molecular Weight267.31 g/mol
Exact Mass267.04
IUPAC Namepotassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILES[2H]c1ccc(C)c2ncc(-c3nnn[n-]3)c(=O)n12.[K+]
InChIInChI=1S/C10H7N6O.K/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;+1/i4D;
InChIKeyNMMVKSMGBDRONO-BCVNIXSYSA-N
XLogP-3.18
TPSA87.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-3.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of potassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 46841445) is potassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for potassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for potassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one is [2H]c1ccc(C)c2ncc(-c3nnn[n-]3)c(=O)n12.[K+].
What is the InChIKey of potassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NMMVKSMGBDRONO-BCVNIXSYSA-N. The full InChI is InChI=1S/C10H7N6O.K/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;+1/i4D;.
What are the key properties of potassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one?
potassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 267.31 g/mol, XLogP of -3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-deuterio-9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 46841445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).