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

C11H16N4 — CID 10465525

IUPAC1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESC=CCn1ncc(C2=CCCN(C)C2)n1
InChIInChI=1S/C11H16N4/c1-3-6-15-12-8-11(13-15)10-5-4-7-14(2)9-10/h3,5,8H,1,4,6-7,9H2,2H3
InChIKeyYSUUSHRTJKGUEZ-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.18
Rot. Bonds3

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

1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine (PubChem CID 10465525) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine
PubChem CID10465525
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine
SMILESC=CCn1ncc(C2=CCCN(C)C2)n1
InChIInChI=1S/C11H16N4/c1-3-6-15-12-8-11(13-15)10-5-4-7-14(2)9-10/h3,5,8H,1,4,6-7,9H2,2H3
InChIKeyYSUUSHRTJKGUEZ-UHFFFAOYSA-N
XLogP1.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-[1,2,5]thiadiazol-3-yl-1,2,3,6-tetrahydro-pyridine
CID 11629696
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-(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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine (CID 10465525) is 1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine is C=CCn1ncc(C2=CCCN(C)C2)n1.
What is the InChIKey of 1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is YSUUSHRTJKGUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-6-15-12-8-11(13-15)10-5-4-7-14(2)9-10/h3,5,8H,1,4,6-7,9H2,2H3.
What are the key properties of 1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 204.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-prop-2-enyltriazol-4-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10465525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).