6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline

C15H20N4 — CID 62709374

IUPAC6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)Cn1cnnc1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H20N4/c1-11(2)9-19-10-17-18-15(19)13-5-6-14-12(8-13)4-3-7-16-14/h5-6,8,10-11,16H,3-4,7,9H2,1-2H3
InChIKeyACLKPMRKYFYDPU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.96
Rot. Bonds3

About 6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline

6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline (PubChem CID 62709374) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline
PubChem CID62709374
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)Cn1cnnc1-c1ccc2c(c1)CCCN2
InChIInChI=1S/C15H20N4/c1-11(2)9-19-10-17-18-15(19)13-5-6-14-12(8-13)4-3-7-16-14/h5-6,8,10-11,16H,3-4,7,9H2,1-2H3
InChIKeyACLKPMRKYFYDPU-UHFFFAOYSA-N
XLogP2.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 55108572
3-(4-bromophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395668
3-(4-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395624
3-(2,3-dihydro-1H-inden-5-yl)-4-ethyl-1,2,4-triazole
CID 115394910
5-(4-cyclohexyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indole
CID 62710580
6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 55197505
3-(3-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395591
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
6-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 62722712
3-[4-bromo-3-(trifluoromethyl)phenyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 115395749
4-(2-methylpropyl)-3-(4-methylsulfonylphenyl)-1,2,4-triazole
CID 115395713

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline (CID 62709374) is 6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline is CC(C)Cn1cnnc1-c1ccc2c(c1)CCCN2.
What is the InChIKey of 6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ACLKPMRKYFYDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11(2)9-19-10-17-18-15(19)13-5-6-14-12(8-13)4-3-7-16-14/h5-6,8,10-11,16H,3-4,7,9H2,1-2H3.
What are the key properties of 6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline?
6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 256.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 62709374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).