N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde

C25H38N6O4 — CID 143281999

IUPACN,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde
SMILESC=O.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(C)ccc3OCC)nn12.CNC(=O)C(C)(C)NC
InChIInChI=1S/C18H22N4O2.C6H14N2O.CH2O/c1-5-7-15-19-12(4)16-18(23)20-17(21-22(15)16)13-10-11(3)8-9-14(13)24-6-2;1-6(2,8-4)5(9)7-3;1-2/h8-10H,5-7H2,1-4H3,(H,20,21,23);8H,1-4H3,(H,7,9);1H2
InChIKeyLWVBXOARXZQPKV-UHFFFAOYSA-N
MW486.62 g/mol
LogP2.60
Rot. Bonds7

About N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde

N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde (PubChem CID 143281999) has the molecular formula C25H38N6O4 and a molecular weight of 486.62 g/mol. Its IUPAC name is N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde.

Molecular Properties

Compound NameN,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde
PubChem CID143281999
Molecular FormulaC25H38N6O4
Molecular Weight486.62 g/mol
Exact Mass486.30
IUPAC NameN,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde
SMILESC=O.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(C)ccc3OCC)nn12.CNC(=O)C(C)(C)NC
InChIInChI=1S/C18H22N4O2.C6H14N2O.CH2O/c1-5-7-15-19-12(4)16-18(23)20-17(21-22(15)16)13-10-11(3)8-9-14(13)24-6-2;1-6(2,8-4)5(9)7-3;1-2/h8-10H,5-7H2,1-4H3,(H,20,21,23);8H,1-4H3,(H,7,9);1H2
InChIKeyLWVBXOARXZQPKV-UHFFFAOYSA-N
XLogP2.60
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 143281992
methyl 4-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]benzoate
CID 136959511
2-(2-ethoxy-5-methoxysulfanylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;methane
CID 143782268
4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-N-propylbenzenesulfonamide
CID 135906898
4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]cyclohexane-1-carboxamide
CID 137136961
ethyl 4-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]piperazine-1-carboxylate
CID 135698337
4-ethoxy-N-methyl-N-[2-(methylamino)ethyl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135906899
2-(2-ethoxy-4-methoxyphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 135856735
(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonylamino]-N,N-dimethylpropanamide
CID 135428687
4-ethoxy-N-(4-ethoxyphenyl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135707985
1-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylcyclopropane-1-carboxamide
CID 135520374
4-ethoxy-N-(2-hydroxy-2-phenylethyl)-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135707938

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde?
The IUPAC name of N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde (CID 143281999) is N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde.
What is the SMILES notation for N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde?
The canonical SMILES for N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde is C=O.CCCc1nc(C)c2c(=O)[nH]c(-c3cc(C)ccc3OCC)nn12.CNC(=O)C(C)(C)NC.
What is the InChIKey of N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde?
The InChIKey is LWVBXOARXZQPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.C6H14N2O.CH2O/c1-5-7-15-19-12(4)16-18(23)20-17(21-22(15)16)13-10-11(3)8-9-14(13)24-6-2;1-6(2,8-4)5(9)7-3;1-2/h8-10H,5-7H2,1-4H3,(H,20,21,23);8H,1-4H3,(H,7,9);1H2.
What are the key properties of N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde?
N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde has a molecular weight of 486.62 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(methylamino)propanamide;2-(2-ethoxy-5-methylphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;formaldehyde is sourced from PubChem (CID 143281999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).