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

C10H7KN6O — CID 46841443

IUPACpotassium 2-deuterio-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])cccn2c(=O)c1-c1nnn[n-]1.[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/i1D3,5D;
InChIKeyNMMVKSMGBDRONO-UPTOMHJNSA-N
MW270.33 g/mol
LogP-3.18
Rot. Bonds2

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

potassium 2-deuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 46841443) has the molecular formula C10H7KN6O and a molecular weight of 270.33 g/mol. Its IUPAC name is potassium 2-deuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Namepotassium 2-deuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID46841443
Molecular FormulaC10H7KN6O
Molecular Weight270.33 g/mol
Exact Mass270.06
IUPAC Namepotassium 2-deuterio-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])cccn2c(=O)c1-c1nnn[n-]1.[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/i1D3,5D;
InChIKeyNMMVKSMGBDRONO-UPTOMHJNSA-N
XLogP-3.18
TPSA87.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
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 2-deuterio-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 potassium 2-deuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one (CID 46841443) is potassium 2-deuterio-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 potassium 2-deuterio-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 potassium 2-deuterio-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])cccn2c(=O)c1-c1nnn[n-]1.[K+].
What is the InChIKey of potassium 2-deuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NMMVKSMGBDRONO-UPTOMHJNSA-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/i1D3,5D;.
What are the key properties of potassium 2-deuterio-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-9-(trideuteriomethyl)pyrido[1,2-a]pyrimidin-4-one?
potassium 2-deuterio-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 270.33 g/mol, XLogP of -3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-deuterio-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 46841443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).