3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline

C17H24N4 — CID 106780070

IUPAC3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)Cn1ncnc1CC1Nc2ccccc2CC1C
InChIInChI=1S/C17H24N4/c1-12(2)10-21-17(18-11-19-21)9-16-13(3)8-14-6-4-5-7-15(14)20-16/h4-7,11-13,16,20H,8-10H2,1-3H3
InChIKeyIORXWZCUINYWJJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.15
Rot. Bonds4

About 3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline

3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106780070) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106780070
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)Cn1ncnc1CC1Nc2ccccc2CC1C
InChIInChI=1S/C17H24N4/c1-12(2)10-21-17(18-11-19-21)9-16-13(3)8-14-6-4-5-7-15(14)20-16/h4-7,11-13,16,20H,8-10H2,1-3H3
InChIKeyIORXWZCUINYWJJ-UHFFFAOYSA-N
XLogP3.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780034
2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780430
4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106780076
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 15312191
(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 116597015
[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
CID 81011154
2-(2-cyclopropylethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779885
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 105108217
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106778414
1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 116626446

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline (CID 106780070) is 3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline is CC(C)Cn1ncnc1CC1Nc2ccccc2CC1C.
What is the InChIKey of 3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is IORXWZCUINYWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-12(2)10-21-17(18-11-19-21)9-16-13(3)8-14-6-4-5-7-15(14)20-16/h4-7,11-13,16,20H,8-10H2,1-3H3.
What are the key properties of 3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline?
3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 284.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).