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

C10H14N4O — CID 135884443

IUPAC7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1nc(CC(C)C)c2c(=O)[nH]cnn12
InChIInChI=1S/C10H14N4O/c1-6(2)4-8-9-10(15)11-5-12-14(9)7(3)13-8/h5-6H,4H2,1-3H3,(H,11,12,15)
InChIKeyNNDLNAQYNWDYDZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.92
Rot. Bonds2

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

7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135884443) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135884443
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCc1nc(CC(C)C)c2c(=O)[nH]cnn12
InChIInChI=1S/C10H14N4O/c1-6(2)4-8-9-10(15)11-5-12-14(9)7(3)13-8/h5-6H,4H2,1-3H3,(H,11,12,15)
InChIKeyNNDLNAQYNWDYDZ-UHFFFAOYSA-N
XLogP0.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-7H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one
CID 140895694
4-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 135991796
2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid
CID 84677639
5-methyl-7-(2-methylpropyl)-2-propan-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135616759
7-methyl-2-(2-methylpropyl)-4H-pyrido[2,3-b]pyrazin-3-one
CID 132584780
7-(4-fluorophenyl)-8-methyl-1H-purin-6-one
CID 137254746
methyl 4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate;4-oxo-7-phenyl-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxamide
CID 158152618
7,8-dimethoxy-3H-[1,2,4]triazino[1,6-a]indol-4-one
CID 136621355
5-bromo-2-(3-methylfuran-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136741734
4-(2-methylpropyl)-1H-imidazo[4,5-c]pyridine
CID 173346050
4-(2-methylpropyl)-2H-phthalazin-1-one
CID 10035755
3-bromo-7-methyl-2-(2-methylpropyl)imidazo[1,2-a]pyridine
CID 165493110

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135884443) is 7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one is Cc1nc(CC(C)C)c2c(=O)[nH]cnn12.
What is the InChIKey of 7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is NNDLNAQYNWDYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6(2)4-8-9-10(15)11-5-12-14(9)7(3)13-8/h5-6H,4H2,1-3H3,(H,11,12,15).
What are the key properties of 7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 206.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(2-methylpropyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135884443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).