3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine

C12H18N6 — CID 143718971

IUPAC3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine
SMILESCN1CCc2ccc(C3(N)N=C(N)NN3)cc2C1
InChIInChI=1S/C12H18N6/c1-18-5-4-8-2-3-10(6-9(8)7-18)12(14)15-11(13)16-17-12/h2-3,6,17H,4-5,7,14H2,1H3,(H3,13,15,16)
InChIKeyLFGDEXPDAZOVGO-UHFFFAOYSA-N
MW246.32 g/mol
LogP-0.83
Rot. Bonds1

About 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine

3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine (PubChem CID 143718971) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine
PubChem CID143718971
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine
SMILESCN1CCc2ccc(C3(N)N=C(N)NN3)cc2C1
InChIInChI=1S/C12H18N6/c1-18-5-4-8-2-3-10(6-9(8)7-18)12(14)15-11(13)16-17-12/h2-3,6,17H,4-5,7,14H2,1H3,(H3,13,15,16)
InChIKeyLFGDEXPDAZOVGO-UHFFFAOYSA-N
XLogP-0.83
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine with MolForge

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Related Compounds

3-[(7S)-7-(dimethylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 154514770
3-[7-(diethylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 143719378
3-[3-fluoro-4-(4-methyl-2-piperidin-4-ylpiperazin-1-yl)phenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 143719433
3-[3-fluoro-4-[4-(5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3-yl)piperidin-1-yl]phenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 143719361
3-[4-[4-(dipropylamino)piperidin-1-yl]-3-fluorophenyl]-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 143719374
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane
CID 155201597
2-methyl-7-prop-1-en-2-yl-3,4-dihydro-1H-isoquinoline
CID 143924095
2-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1H-quinazoline-2,7-diamine
CID 170431197
2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
CID 10035152
7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 170099956
7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84656604

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine?
The IUPAC name of 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine (CID 143718971) is 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine is CN1CCc2ccc(C3(N)N=C(N)NN3)cc2C1.
What is the InChIKey of 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine?
The InChIKey is LFGDEXPDAZOVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-18-5-4-8-2-3-10(6-9(8)7-18)12(14)15-11(13)16-17-12/h2-3,6,17H,4-5,7,14H2,1H3,(H3,13,15,16).
What are the key properties of 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine?
3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine has a molecular weight of 246.32 g/mol, XLogP of -0.83, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,2-dihydro-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 143718971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).