8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium

C9H7N4O+ — CID 15459338

IUPAC8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium
SMILESCc1ccn2c(=O)c([N+]#N)cnc2c1
InChIInChI=1S/C9H7N4O/c1-6-2-3-13-8(4-6)11-5-7(12-10)9(13)14/h2-5H,1H3/q+1
InChIKeyOMZJJKQINORFDR-UHFFFAOYSA-N
MW187.18 g/mol
LogP1.49
Rot. Bonds

About 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium

8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium (PubChem CID 15459338) has the molecular formula C9H7N4O+ and a molecular weight of 187.18 g/mol. Its IUPAC name is 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium.

Molecular Properties

Compound Name8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium
PubChem CID15459338
Molecular FormulaC9H7N4O+
Molecular Weight187.18 g/mol
Exact Mass187.06
IUPAC Name8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium
SMILESCc1ccn2c(=O)c([N+]#N)cnc2c1
InChIInChI=1S/C9H7N4O/c1-6-2-3-13-8(4-6)11-5-7(12-10)9(13)14/h2-5H,1H3/q+1
InChIKeyOMZJJKQINORFDR-UHFFFAOYSA-N
XLogP1.49
TPSA62.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium?
The IUPAC name of 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium (CID 15459338) is 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium.
What is the SMILES notation for 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium?
The canonical SMILES for 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium is Cc1ccn2c(=O)c([N+]#N)cnc2c1.
What is the InChIKey of 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium?
The InChIKey is OMZJJKQINORFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N4O/c1-6-2-3-13-8(4-6)11-5-7(12-10)9(13)14/h2-5H,1H3/q+1.
What are the key properties of 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium?
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium has a molecular weight of 187.18 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-diazonium is sourced from PubChem (CID 15459338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).