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

C8H12N4 — CID 23052456

IUPAC5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
SMILESCn1cnc(C2=CCCNC2)n1
InChIInChI=1S/C8H12N4/c1-12-6-10-8(11-12)7-3-2-4-9-5-7/h3,6,9H,2,4-5H2,1H3
InChIKeyYOTTZYATUMVTDF-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.19
Rot. Bonds1

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

5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 23052456) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID23052456
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
SMILESCn1cnc(C2=CCCNC2)n1
InChIInChI=1S/C8H12N4/c1-12-6-10-8(11-12)7-3-2-4-9-5-7/h3,6,9H,2,4-5H2,1H3
InChIKeyYOTTZYATUMVTDF-UHFFFAOYSA-N
XLogP0.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine (CID 23052456) is 5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine is Cn1cnc(C2=CCCNC2)n1.
What is the InChIKey of 5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is YOTTZYATUMVTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-12-6-10-8(11-12)7-3-2-4-9-5-7/h3,6,9H,2,4-5H2,1H3.
What are the key properties of 5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine?
5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 164.21 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 23052456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).