2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one

C9H10N4O — CID 23828654

IUPAC2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1ccn2c(=O)nc(N)nc2c1C
InChIInChI=1S/C9H10N4O/c1-5-3-4-13-7(6(5)2)11-8(10)12-9(13)14/h3-4H,1-2H3,(H2,10,12,14)
InChIKeyQYAJRBDVJCTVTI-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.29
Rot. Bonds

About 2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one

2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 23828654) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID23828654
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1ccn2c(=O)nc(N)nc2c1C
InChIInChI=1S/C9H10N4O/c1-5-3-4-13-7(6(5)2)11-8(10)12-9(13)14/h3-4H,1-2H3,(H2,10,12,14)
InChIKeyQYAJRBDVJCTVTI-UHFFFAOYSA-N
XLogP0.29
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one (CID 23828654) is 2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one is Cc1ccn2c(=O)nc(N)nc2c1C.
What is the InChIKey of 2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is QYAJRBDVJCTVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-5-3-4-13-7(6(5)2)11-8(10)12-9(13)14/h3-4H,1-2H3,(H2,10,12,14).
What are the key properties of 2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one?
2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 190.21 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8,9-dimethylpyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 23828654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).