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

C18H23N5O — CID 135787964

IUPAC7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1nc(C2CCCC2)n2nc(-c3ccc(C)n3C)[nH]c(=O)c12
InChIInChI=1S/C18H23N5O/c1-4-13-15-18(24)20-16(14-10-9-11(2)22(14)3)21-23(15)17(19-13)12-7-5-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,20,21,24)
InChIKeySMBXXKNKLLITRL-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.95
Rot. Bonds3

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

7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 135787964) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID135787964
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1nc(C2CCCC2)n2nc(-c3ccc(C)n3C)[nH]c(=O)c12
InChIInChI=1S/C18H23N5O/c1-4-13-15-18(24)20-16(14-10-9-11(2)22(14)3)21-23(15)17(19-13)12-7-5-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,20,21,24)
InChIKeySMBXXKNKLLITRL-UHFFFAOYSA-N
XLogP2.95
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-7-cyclopentyl-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752606
2-(3-bromothiophen-2-yl)-7-cyclopentyl-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135787962
7-cyclopentyl-5-ethyl-2-pyrazin-2-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135788028
7-cyclopentyl-5-ethyl-2-isoquinolin-1-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135788021
5-ethyl-2-naphthalen-1-yl-7-[4-(trifluoromethyl)cyclohexyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135752661
benzyl 4-(2-cyclopentyl-5-ethyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 135752579
2-[5-(azidomethyl)-2-ethoxyphenyl]-7-cycloheptyl-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135698304
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
N-[3-(7-cyclopentyl-5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxyphenyl]propane-2-sulfonamide
CID 135698350
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-cyclopentyl-2-[2-ethoxy-5-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135769829
N-[3-(7-cyclopentyl-5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-4-propoxyphenyl]-N-propan-2-ylsulfonylpropane-2-sulfonamide
CID 135604926

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 135787964) is 7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCc1nc(C2CCCC2)n2nc(-c3ccc(C)n3C)[nH]c(=O)c12.
What is the InChIKey of 7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is SMBXXKNKLLITRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-13-15-18(24)20-16(14-10-9-11(2)22(14)3)21-23(15)17(19-13)12-7-5-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,20,21,24).
What are the key properties of 7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 325.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-(1,5-dimethylpyrrol-2-yl)-5-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135787964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).