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

C9H14N4 — CID 10375002

IUPAC5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCCn1ncc(C2=CCCNC2)n1
InChIInChI=1S/C9H14N4/c1-2-13-11-7-9(12-13)8-4-3-5-10-6-8/h4,7,10H,2-3,5-6H2,1H3
InChIKeyVBJAUEDVWCIAPY-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.67
Rot. Bonds2

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

5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 10375002) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
PubChem CID10375002
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine
SMILESCCn1ncc(C2=CCCNC2)n1
InChIInChI=1S/C9H14N4/c1-2-13-11-7-9(12-13)8-4-3-5-10-6-8/h4,7,10H,2-3,5-6H2,1H3
InChIKeyVBJAUEDVWCIAPY-UHFFFAOYSA-N
XLogP0.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.67
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-(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-Butyl-2H-[1,2,3]triazol-4-yl)-1,2,3,6-tetrahydro-pyridine
CID 10420536
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-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine (CID 10375002) is 5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine is CCn1ncc(C2=CCCNC2)n1.
What is the InChIKey of 5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is VBJAUEDVWCIAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-13-11-7-9(12-13)8-4-3-5-10-6-8/h4,7,10H,2-3,5-6H2,1H3.
What are the key properties of 5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine?
5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 178.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyltriazol-4-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 10375002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).