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

C12H20N4 — CID 10262914

IUPAC5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCn1ncc(C2=CCCN(C)C2)n1
InChIInChI=1S/C12H20N4/c1-3-4-8-16-13-9-12(14-16)11-6-5-7-15(2)10-11/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyHEKVOINWLJKTDK-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.80
Rot. Bonds4

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

5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 10262914) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID10262914
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCCCn1ncc(C2=CCCN(C)C2)n1
InChIInChI=1S/C12H20N4/c1-3-4-8-16-13-9-12(14-16)11-6-5-7-15(2)10-11/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyHEKVOINWLJKTDK-UHFFFAOYSA-N
XLogP1.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.80
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-[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-(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

Frequently Asked Questions

What is the IUPAC name of 5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 10262914) is 5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCCCn1ncc(C2=CCCN(C)C2)n1.
What is the InChIKey of 5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is HEKVOINWLJKTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-4-8-16-13-9-12(14-16)11-6-5-7-15(2)10-11/h6,9H,3-5,7-8,10H2,1-2H3.
What are the key properties of 5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 220.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butyltriazol-4-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10262914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).