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

C15H16N4 — CID 115395568

IUPAC2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline
SMILESCC(C)Cn1cnnc1-c1ccc2ccccc2n1
InChIInChI=1S/C15H16N4/c1-11(2)9-19-10-16-18-15(19)14-8-7-12-5-3-4-6-13(12)17-14/h3-8,10-11H,9H2,1-2H3
InChIKeyPMIZSEVRQMELFS-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.15
Rot. Bonds3

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

2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline (PubChem CID 115395568) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline
PubChem CID115395568
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline
SMILESCC(C)Cn1cnnc1-c1ccc2ccccc2n1
InChIInChI=1S/C15H16N4/c1-11(2)9-19-10-16-18-15(19)14-8-7-12-5-3-4-6-13(12)17-14/h3-8,10-11H,9H2,1-2H3
InChIKeyPMIZSEVRQMELFS-UHFFFAOYSA-N
XLogP3.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-3-(1-methylpyrazol-3-yl)-1,2,4-triazole
CID 103123745
2-(4-phenyl-1,2,4-triazol-3-yl)quinoline
CID 115393314
3-(1-methylimidazol-4-yl)-4-(2-methylpropyl)-1,2,4-triazole
CID 107976153
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 115395542
3-(4-bromophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395668
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-5-(trifluoromethyl)pyridine
CID 114909548
3-(3,4-dimethylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113301392
3-(3-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395591
3-(2,3-difluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395501
3-(3-bromo-2-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113403238
2-methoxy-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine
CID 115395550
3-(4-chloro-3-methylphenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 113397407

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline?
The IUPAC name of 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline (CID 115395568) is 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline.
What is the SMILES notation for 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline?
The canonical SMILES for 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline is CC(C)Cn1cnnc1-c1ccc2ccccc2n1.
What is the InChIKey of 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline?
The InChIKey is PMIZSEVRQMELFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11(2)9-19-10-16-18-15(19)14-8-7-12-5-3-4-6-13(12)17-14/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline?
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline has a molecular weight of 252.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]quinoline is sourced from PubChem (CID 115395568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).