ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine

C12H26N4 — CID 143114530

IUPACethane;1-ethyl-1,2,4-triazole;1-methylpiperidine
SMILESCC.CCn1cncn1.CN1CCCCC1
InChIInChI=1S/C6H13N.C4H7N3.C2H6/c1-7-5-3-2-4-6-7;1-2-7-4-5-3-6-7;1-2/h2-6H2,1H3;3-4H,2H2,1H3;1-2H3
InChIKeyQIQTXPICZLDWKK-UHFFFAOYSA-N
MW226.37 g/mol
LogP2.43
Rot. Bonds1

About ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine

ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine (PubChem CID 143114530) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine.

Molecular Properties

Compound Nameethane;1-ethyl-1,2,4-triazole;1-methylpiperidine
PubChem CID143114530
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Nameethane;1-ethyl-1,2,4-triazole;1-methylpiperidine
SMILESCC.CCn1cncn1.CN1CCCCC1
InChIInChI=1S/C6H13N.C4H7N3.C2H6/c1-7-5-3-2-4-6-7;1-2-7-4-5-3-6-7;1-2/h2-6H2,1H3;3-4H,2H2,1H3;1-2H3
InChIKeyQIQTXPICZLDWKK-UHFFFAOYSA-N
XLogP2.43
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine?
The IUPAC name of ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine (CID 143114530) is ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine.
What is the SMILES notation for ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine?
The canonical SMILES for ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine is CC.CCn1cncn1.CN1CCCCC1.
What is the InChIKey of ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine?
The InChIKey is QIQTXPICZLDWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H7N3.C2H6/c1-7-5-3-2-4-6-7;1-2-7-4-5-3-6-7;1-2/h2-6H2,1H3;3-4H,2H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine?
ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine has a molecular weight of 226.37 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-1,2,4-triazole;1-methylpiperidine is sourced from PubChem (CID 143114530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).