5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine

C11H18N4 — CID 10420536

IUPAC5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCCCCn1ncc(C2=CCCNC2)n1
InChIInChI=1S/C11H18N4/c1-2-3-7-15-13-9-11(14-15)10-5-4-6-12-8-10/h5,9,12H,2-4,6-8H2,1H3
InChIKeyQGXNENIRGFXSKL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.45
Rot. Bonds4

About 5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine

5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 10420536) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
PubChem CID10420536
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCCCCn1ncc(C2=CCCNC2)n1
InChIInChI=1S/C11H18N4/c1-2-3-7-15-13-9-11(14-15)10-5-4-6-12-8-10/h5,9,12H,2-4,6-8H2,1H3
InChIKeyQGXNENIRGFXSKL-UHFFFAOYSA-N
XLogP1.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Methyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrahydro-pyridine
CID 10057861
2-Methyl-4-(1-methyl-1,2,5,6-tetrahydro-3-pyridyl)-1,2,3-triazole
CID 10442260
5-(2-Ethyl-2H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10012808
5-(2-Ethyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrahydro-pyridine
CID 10375002
5-(3-Ethyl-3H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10058412
3-Methyl-5-(2-prop-2-ynyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrahydro-pyridine
CID 10058674
1-Methyl-5-(2-prop-2-ynyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrahydro-pyridine
CID 10104311
1-Methyl-5-(2-vinyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrahydro-pyridine
CID 10241624
5-(2-Butyl-2H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10262914
5-(2-Propyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrahydro-pyridine
CID 10420105
5-(2-Allyl-2H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10465525
1-Methyl-5-(2-propyl-2H-1,2,3-triazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 11820311

Frequently Asked Questions

What is the IUPAC name of 5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine (CID 10420536) is 5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine is CCCCn1ncc(C2=CCCNC2)n1.
What is the InChIKey of 5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is QGXNENIRGFXSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-2-3-7-15-13-9-11(14-15)10-5-4-6-12-8-10/h5,9,12H,2-4,6-8H2,1H3.
What are the key properties of 5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 206.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyltriazol-4-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 10420536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).