N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide

C19H26N6O4S — CID 135522920

IUPACN-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN)ccc3OCC)nn12
InChIInChI=1S/C19H26N6O4S/c1-4-6-16-22-12(3)17-19(26)23-18(24-25(16)17)14-11-13(7-8-15(14)29-5-2)30(27,28)21-10-9-20/h7-8,11,21H,4-6,9-10,20H2,1-3H3,(H,23,24,26)
InChIKeyJHFCRPIYVQYAOE-UHFFFAOYSA-N
MW434.52 g/mol
LogP0.98
Rot. Bonds9

About N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide

N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide (PubChem CID 135522920) has the molecular formula C19H26N6O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
PubChem CID135522920
Molecular FormulaC19H26N6O4S
Molecular Weight434.52 g/mol
Exact Mass434.17
IUPAC NameN-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN)ccc3OCC)nn12
InChIInChI=1S/C19H26N6O4S/c1-4-6-16-22-12(3)17-19(26)23-18(24-25(16)17)14-11-13(7-8-15(14)29-5-2)30(27,28)21-10-9-20/h7-8,11,21H,4-6,9-10,20H2,1-3H3,(H,23,24,26)
InChIKeyJHFCRPIYVQYAOE-UHFFFAOYSA-N
XLogP0.98
TPSA144.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vardenafil
CID 135400189
Vardenafil Hydrochloride
CID 135438569
Vardenafil Hydrochloride Trihydrate
CID 135413545
Desulfovardenafil
CID 135406983
UK-150564
CID 135539056
7-Cyclopentyl-2-[2-ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phenyl]-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135456038
7-Cyclopentyl-2-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-sulfonyl]-phenyl}-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135467948
N-Desmethylvardenafil
CID 135544141
Vardenafil citrate
CID 135749823
Vardenafil Dihydrochloride
CID 135414253
2-[2-ethoxy-5-[(1-imino-1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 162658107
8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phenyl]-1-methyl-3-propyl-3,7-dihydro-purine-2,6-dione
CID 44321229

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide (CID 135522920) is N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide is CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN)ccc3OCC)nn12.
What is the InChIKey of N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?
The InChIKey is JHFCRPIYVQYAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4S/c1-4-6-16-22-12(3)17-19(26)23-18(24-25(16)17)14-11-13(7-8-15(14)29-5-2)30(27,28)21-10-9-20/h7-8,11,21H,4-6,9-10,20H2,1-3H3,(H,23,24,26).
What are the key properties of N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide?
N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 135522920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).