5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline

C16H22N4 — CID 106780063

IUPAC5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)Cn1ncnc1Cc1cccc2c1CCCN2
InChIInChI=1S/C16H22N4/c1-12(2)10-20-16(18-11-19-20)9-13-5-3-7-15-14(13)6-4-8-17-15/h3,5,7,11-12,17H,4,6,8-10H2,1-2H3
InChIKeyCKOSGLIFXGVHLW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.88
Rot. Bonds4

About 5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline

5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 106780063) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID106780063
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)Cn1ncnc1Cc1cccc2c1CCCN2
InChIInChI=1S/C16H22N4/c1-12(2)10-20-16(18-11-19-20)9-13-5-3-7-15-14(13)6-4-8-17-15/h3,5,7,11-12,17H,4,6,8-10H2,1-2H3
InChIKeyCKOSGLIFXGVHLW-UHFFFAOYSA-N
XLogP2.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780222
5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106780078
5-[(1-methylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106780297
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1,2,3,4-tetrahydroquinolin-5-yl)ethanone
CID 116610444
5-[(3,4-dimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106778070
(2-ethyl-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 112744174
1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
5-[(1-cyclopentylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 106779847
N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-5-amine
CID 81215004
N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)hex-5-en-2-amine
CID 167959230
5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 106777836
5-[2-(chloromethyl)-3-(2-methylphenyl)propyl]-1-(2-methylpropyl)-1,2,4-triazole
CID 66049674

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline (CID 106780063) is 5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline is CC(C)Cn1ncnc1Cc1cccc2c1CCCN2.
What is the InChIKey of 5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is CKOSGLIFXGVHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12(2)10-20-16(18-11-19-20)9-13-5-3-7-15-14(13)6-4-8-17-15/h3,5,7,11-12,17H,4,6,8-10H2,1-2H3.
What are the key properties of 5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline?
5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 270.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).