2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine

C15H24N4 — CID 70433566

IUPAC2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine
SMILESCCCCC1(c2nc(C(C)C)n(C)n2)C=CC=CN1
InChIInChI=1S/C15H24N4/c1-5-6-9-15(10-7-8-11-16-15)14-17-13(12(2)3)19(4)18-14/h7-8,10-12,16H,5-6,9H2,1-4H3
InChIKeyQMRMRIGVJDCUIQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.00
Rot. Bonds5

About 2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine

2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine (PubChem CID 70433566) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine.

Molecular Properties

Compound Name2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine
PubChem CID70433566
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine
SMILESCCCCC1(c2nc(C(C)C)n(C)n2)C=CC=CN1
InChIInChI=1S/C15H24N4/c1-5-6-9-15(10-7-8-11-16-15)14-17-13(12(2)3)19(4)18-14/h7-8,10-12,16H,5-6,9H2,1-4H3
InChIKeyQMRMRIGVJDCUIQ-UHFFFAOYSA-N
XLogP3.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine?
The IUPAC name of 2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine (CID 70433566) is 2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine.
What is the SMILES notation for 2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine?
The canonical SMILES for 2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine is CCCCC1(c2nc(C(C)C)n(C)n2)C=CC=CN1.
What is the InChIKey of 2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine?
The InChIKey is QMRMRIGVJDCUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-6-9-15(10-7-8-11-16-15)14-17-13(12(2)3)19(4)18-14/h7-8,10-12,16H,5-6,9H2,1-4H3.
What are the key properties of 2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine?
2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine has a molecular weight of 260.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1H-pyridine is sourced from PubChem (CID 70433566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).