6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine

C20H24N6 — CID 142562934

IUPAC6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine
SMILESC=C(CN1CCCCC1)Nc1cc2cc(-c3nncn3C)ccc2cn1
InChIInChI=1S/C20H24N6/c1-15(13-26-8-4-3-5-9-26)23-19-11-18-10-16(6-7-17(18)12-21-19)20-24-22-14-25(20)2/h6-7,10-12,14H,1,3-5,8-9,13H2,2H3,(H,21,23)
InChIKeyCYEAVSURSDIHBJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds5

About 6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine

6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine (PubChem CID 142562934) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine.

Molecular Properties

Compound Name6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine
PubChem CID142562934
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine
SMILESC=C(CN1CCCCC1)Nc1cc2cc(-c3nncn3C)ccc2cn1
InChIInChI=1S/C20H24N6/c1-15(13-26-8-4-3-5-9-26)23-19-11-18-10-16(6-7-17(18)12-21-19)20-24-22-14-25(20)2/h6-7,10-12,14H,1,3-5,8-9,13H2,2H3,(H,21,23)
InChIKeyCYEAVSURSDIHBJ-UHFFFAOYSA-N
XLogP3.44
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine 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

2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
2-N-[3-(diethylamino)propyl]-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 5328118
N-(3,5-dimethylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 6419394
Aminoquinazoline, 19
CID 24863072
n3-[4-(1-Methyl-piperidin-4-yl)-phenyl]-1-pyridin-2-yl-1h-[1,2,4]triazole-3,5-diamine
CID 56593836
3-N-[3-(1-methylpiperidin-4-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56593837
2-(1-methyl-1H-imidazol-2-yl)-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridine
CID 118660604
4-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-piperazin-1-ylpyrido[3,4-d]pyridazin-1-amine
CID 156526894
6-Methyl-3-(4-pyridinyl)[1,2,4]triazolo[3,4-a]phthalazine
CID 1266914
2-(3,4-Dimethylphenyl)-1,8-naphthyridine
CID 44434720
(1r,2r)-N-[3-(Naphthalen-2-Yl)pyrazolo[1,5-A]pyrimidin-5-Yl]cyclohexane-1,2-Diamine
CID 72545756
5-Methyl-6-[(2,3,5,6-tetramethyl-4-pyrrol-1-yl-phenylamino)-methyl]-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 469434

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine?
The IUPAC name of 6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine (CID 142562934) is 6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine.
What is the SMILES notation for 6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine?
The canonical SMILES for 6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine is C=C(CN1CCCCC1)Nc1cc2cc(-c3nncn3C)ccc2cn1.
What is the InChIKey of 6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine?
The InChIKey is CYEAVSURSDIHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-15(13-26-8-4-3-5-9-26)23-19-11-18-10-16(6-7-17(18)12-21-19)20-24-22-14-25(20)2/h6-7,10-12,14H,1,3-5,8-9,13H2,2H3,(H,21,23).
What are the key properties of 6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine?
6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine has a molecular weight of 348.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine is sourced from PubChem (CID 142562934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).