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

C10H7N6NaO — CID 23679712

IUPACsodium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[Na+]
InChIInChI=1S/C10H7N6O.Na/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
InChIKeyKYIZZXKWRKKFSQ-UHFFFAOYSA-N
MW250.20 g/mol
LogP-3.18
Rot. Bonds1

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

sodium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 23679712) has the molecular formula C10H7N6NaO and a molecular weight of 250.20 g/mol. Its IUPAC name is sodium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Namesodium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID23679712
Molecular FormulaC10H7N6NaO
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Namesodium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[Na+]
InChIInChI=1S/C10H7N6O.Na/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
InChIKeyKYIZZXKWRKKFSQ-UHFFFAOYSA-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 ≤ 500250.20
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 sodium 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 sodium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 23679712) is sodium 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 sodium 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 sodium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[Na+].
What is the InChIKey of sodium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KYIZZXKWRKKFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N6O.Na/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.
What are the key properties of sodium 9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one?
sodium 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 250.20 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 sodium 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 23679712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).