3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine

C11H14N4 — CID 10058674

IUPAC3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESC#CCn1ncc(C2=CC(C)CNC2)n1
InChIInChI=1S/C11H14N4/c1-3-4-15-13-8-11(14-15)10-5-9(2)6-12-7-10/h1,5,8-9,12H,4,6-7H2,2H3
InChIKeyWPVAABYUAZMYQX-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.53
Rot. Bonds2

About 3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine

3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 10058674) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
PubChem CID10058674
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESC#CCn1ncc(C2=CC(C)CNC2)n1
InChIInChI=1S/C11H14N4/c1-3-4-15-13-8-11(14-15)10-5-9(2)6-12-7-10/h1,5,8-9,12H,4,6-7H2,2H3
InChIKeyWPVAABYUAZMYQX-UHFFFAOYSA-N
XLogP0.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine (CID 10058674) is 3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine is C#CCn1ncc(C2=CC(C)CNC2)n1.
What is the InChIKey of 3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is WPVAABYUAZMYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-3-4-15-13-8-11(14-15)10-5-9(2)6-12-7-10/h1,5,8-9,12H,4,6-7H2,2H3.
What are the key properties of 3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 202.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-prop-2-ynyltriazol-4-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 10058674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).