5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine

C10H16N4 — CID 10058412

IUPAC5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCn1nncc1C1=CCCN(C)C1
InChIInChI=1S/C10H16N4/c1-3-14-10(7-11-12-14)9-5-4-6-13(2)8-9/h5,7H,3-4,6,8H2,1-2H3
InChIKeyLXEKHJASZVFOEI-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.02
Rot. Bonds2

About 5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine

5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 10058412) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID10058412
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCn1nncc1C1=CCCN(C)C1
InChIInChI=1S/C10H16N4/c1-3-14-10(7-11-12-14)9-5-4-6-13(2)8-9/h5,7H,3-4,6,8H2,1-2H3
InChIKeyLXEKHJASZVFOEI-UHFFFAOYSA-N
XLogP1.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
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
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-(1-Ethyl-1H-[1,2,3]triazol-4-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 10375325
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-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 10058412) is 5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCn1nncc1C1=CCCN(C)C1.
What is the InChIKey of 5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is LXEKHJASZVFOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-3-14-10(7-11-12-14)9-5-4-6-13(2)8-9/h5,7H,3-4,6,8H2,1-2H3.
What are the key properties of 5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 192.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10058412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).