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

C16H22N4 — CID 106780034

IUPAC3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1Cc1ncnn1C(C)C
InChIInChI=1S/C16H22N4/c1-11(2)20-16(17-10-18-20)9-15-12(3)8-13-6-4-5-7-14(13)19-15/h4-7,10-12,15,19H,8-9H2,1-3H3
InChIKeyZVDFZLJYXOPBNZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.07
Rot. Bonds3

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

3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106780034) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106780034
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1Cc2ccccc2NC1Cc1ncnn1C(C)C
InChIInChI=1S/C16H22N4/c1-11(2)20-16(17-10-18-20)9-15-12(3)8-13-6-4-5-7-14(13)19-15/h4-7,10-12,15,19H,8-9H2,1-3H3
InChIKeyZVDFZLJYXOPBNZ-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 106780070
1-(2,3-dihydro-1H-indol-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 116597015
2-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780430
(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 15312191
2-[(3-fluorophenyl)methyl]-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106777861
2-(2-cyclopropylethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106779885
2-hexyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106778414
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-one
CID 83261342
5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311455
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 81009190

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 106780034) is 3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is CC1Cc2ccccc2NC1Cc1ncnn1C(C)C.
What is the InChIKey of 3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZVDFZLJYXOPBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)20-16(17-10-18-20)9-15-12(3)8-13-6-4-5-7-14(13)19-15/h4-7,10-12,15,19H,8-9H2,1-3H3.
What are the key properties of 3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline?
3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 270.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).