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

C10H16N4 — CID 11106204

IUPAC5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCc1nc(C2=CCCN(C)C2)n[nH]1
InChIInChI=1S/C10H16N4/c1-3-9-11-10(13-12-9)8-5-4-6-14(2)7-8/h5H,3-4,6-7H2,1-2H3,(H,11,12,13)
InChIKeyXIWUFOXAKCRQDT-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.09
Rot. Bonds2

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

5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 11106204) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID11106204
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCc1nc(C2=CCCN(C)C2)n[nH]1
InChIInChI=1S/C10H16N4/c1-3-9-11-10(13-12-9)8-5-4-6-14(2)7-8/h5H,3-4,6-7H2,1-2H3,(H,11,12,13)
InChIKeyXIWUFOXAKCRQDT-UHFFFAOYSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 126790384
5-fluoro-1-[(1R)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 129348535
5-fluoro-1-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 129348536
5-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 10867177
3-cyclohexa-1,5-dien-1-yl-5-propan-2-yl-1H-1,2,4-triazole
CID 17946487
5-(1,5-Dimethyl-1,2,4-triazol-3-yl)-1,2,3,6-tetrahydropyridine
CID 19612494
1-methyl-5-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,6-dihydro-2H-pyridine
CID 19612514
6-(5-methyl-1H-1,2,4-triazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-thiol
CID 59233287
5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)
CID 59252448
5-methyl-3-[(3E,5Z)-2-methylhepta-3,5-dien-3-yl]-1H-1,2,4-triazole
CID 88947372
5-(2-Methyl-propenyl)-3-pyrrolidin-1-yl-1H-[1,2,4]triazole
CID 90017697
5-[(E)-2-methylbut-1-enyl]-3-pyrrolidin-1-yl-1H-1,2,4-triazole
CID 90026098

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 11106204) is 5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine is CCc1nc(C2=CCCN(C)C2)n[nH]1.
What is the InChIKey of 5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is XIWUFOXAKCRQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-3-9-11-10(13-12-9)8-5-4-6-14(2)7-8/h5H,3-4,6-7H2,1-2H3,(H,11,12,13).
What are the key properties of 5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 192.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11106204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).