7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C16H18N6O — CID 135788028

IUPAC7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1nc(C2CCCC2)n2nc(-c3cnccn3)[nH]c(=O)c12
InChIInChI=1S/C16H18N6O/c1-2-11-13-16(23)20-14(12-9-17-7-8-18-12)21-22(13)15(19-11)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,20,21,23)
InChIKeyQFCHDVLWSXHRNV-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.09
Rot. Bonds3

About 7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135788028) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135788028
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1nc(C2CCCC2)n2nc(-c3cnccn3)[nH]c(=O)c12
InChIInChI=1S/C16H18N6O/c1-2-11-13-16(23)20-14(12-9-17-7-8-18-12)21-22(13)15(19-11)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,20,21,23)
InChIKeyQFCHDVLWSXHRNV-UHFFFAOYSA-N
XLogP2.09
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-cyclopentyl-5-ethyl-2-isoquinolin-1-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135788021
2-(4-bromophenyl)-7-cyclopentyl-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752606
7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135787964
2-(3-bromothiophen-2-yl)-7-cyclopentyl-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135787962
benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 135752579
5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752661
2-cyclopentyl-5-ethyl-7-(1-methylcyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752707
3-[3-[7-(4-tert-butylcyclohexyl)-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]-N,N-diethylprop-2-enamide
CID 136601279
7-butan-2-yl-5-ethyl-2-phenyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752679
3-[3-[7-(4-tert-butylcyclohexyl)-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]-N-propylprop-2-enamide
CID 136653296
7-[[(2R)-oxolan-2-yl]methyl]-2-pyrazin-2-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136682401
2-cyclopentyl-5-ethyl-7-heptan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752632

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135788028) is 7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCc1nc(C2CCCC2)n2nc(-c3cnccn3)[nH]c(=O)c12.
What is the InChIKey of 7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is QFCHDVLWSXHRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-2-11-13-16(23)20-14(12-9-17-7-8-18-12)21-22(13)15(19-11)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,20,21,23).
What are the key properties of 7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 310.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135788028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).