5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C13H20N4O — CID 135616759

IUPAC5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1nc(CC(C)C)n2nc(C(C)C)[nH]c(=O)c12
InChIInChI=1S/C13H20N4O/c1-7(2)6-10-14-9(5)11-13(18)15-12(8(3)4)16-17(10)11/h7-8H,6H2,1-5H3,(H,15,16,18)
InChIKeyMNHXRHQADFIKLQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.05
Rot. Bonds3

About 5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135616759) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135616759
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1nc(CC(C)C)n2nc(C(C)C)[nH]c(=O)c12
InChIInChI=1S/C13H20N4O/c1-7(2)6-10-14-9(5)11-13(18)15-12(8(3)4)16-17(10)11/h7-8H,6H2,1-5H3,(H,15,16,18)
InChIKeyMNHXRHQADFIKLQ-UHFFFAOYSA-N
XLogP2.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-dimethyl-8-(2-methylpropyl)purine-2,6-dione
CID 70556316
2-(2-ethoxyphenyl)-7-ethyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136862825
3-ethyl-5-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10-tetraene-7,12-dione
CID 10198727
5-methyl-2-(4-methylphenyl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135553063
ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 143281992
2-[(1S)-1-aminoethyl]-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 144683788
4-methyl-2-(2-methylprop-2-enylsulfanyl)-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 135617840
3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 175739970
7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135884443
5,7-dimethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135708002
3-[7-(2-ethylheptyl)-5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl]-4-propoxybenzenesulfonyl chloride
CID 135552967
9-ethyl-4,7-dimethyl-2-methylsulfanyl-5H-imidazo[5,1-h]pteridin-6-one
CID 19358852

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135616759) is 5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is Cc1nc(CC(C)C)n2nc(C(C)C)[nH]c(=O)c12.
What is the InChIKey of 5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is MNHXRHQADFIKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-7(2)6-10-14-9(5)11-13(18)15-12(8(3)4)16-17(10)11/h7-8H,6H2,1-5H3,(H,15,16,18).
What are the key properties of 5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 248.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135616759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).