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

C10H16N4 — CID 10420105

IUPAC5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCCCn1ncc(C2=CCCNC2)n1
InChIInChI=1S/C10H16N4/c1-2-6-14-12-8-10(13-14)9-4-3-5-11-7-9/h4,8,11H,2-3,5-7H2,1H3
InChIKeyABVGWLAAGJYZDT-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.06
Rot. Bonds3

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

5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 10420105) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
PubChem CID10420105
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCCCn1ncc(C2=CCCNC2)n1
InChIInChI=1S/C10H16N4/c1-2-6-14-12-8-10(13-14)9-4-3-5-11-7-9/h4,8,11H,2-3,5-7H2,1H3
InChIKeyABVGWLAAGJYZDT-UHFFFAOYSA-N
XLogP1.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine (CID 10420105) is 5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine is CCCn1ncc(C2=CCCNC2)n1.
What is the InChIKey of 5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is ABVGWLAAGJYZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-2-6-14-12-8-10(13-14)9-4-3-5-11-7-9/h4,8,11H,2-3,5-7H2,1H3.
What are the key properties of 5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 192.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propyltriazol-4-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 10420105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).