ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine

C13H26N4 — CID 142910584

IUPACethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
SMILESCC.Cc1nnc(C(C)C)n1C1CCNCC1
InChIInChI=1S/C11H20N4.C2H6/c1-8(2)11-14-13-9(3)15(11)10-4-6-12-7-5-10;1-2/h8,10,12H,4-7H2,1-3H3;1-2H3
InChIKeyIEEJIYIOCOEJFJ-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.66
Rot. Bonds2

About ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine

ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine (PubChem CID 142910584) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Nameethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
PubChem CID142910584
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Nameethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
SMILESCC.Cc1nnc(C(C)C)n1C1CCNCC1
InChIInChI=1S/C11H20N4.C2H6/c1-8(2)11-14-13-9(3)15(11)10-4-6-12-7-5-10;1-2/h8,10,12H,4-7H2,1-3H3;1-2H3
InChIKeyIEEJIYIOCOEJFJ-UHFFFAOYSA-N
XLogP2.66
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
CID 45097111
(1S,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
CID 98046593
3-[1-(azetidin-3-yl)ethyl]-4-cyclopentyl-5-methyl-1,2,4-triazole
CID 116684379
[4-[(1R)-3-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]-1-phenylpropyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 11577238
4-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 104686988
3-chloro-4-cyclobutyl-5-propan-2-yl-1,2,4-triazole
CID 63385303
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65222073
1,3-dimethyl-7-piperidin-4-yl-8-propan-2-ylpurine-2,6-dione
CID 82465740
(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 115396305
4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
CID 59903777
3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-(3-phenylpropyl)-8-azabicyclo[3.2.1]octane
CID 71089222
1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
CID 62478267

Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine (CID 142910584) is ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine is CC.Cc1nnc(C(C)C)n1C1CCNCC1.
What is the InChIKey of ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is IEEJIYIOCOEJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4.C2H6/c1-8(2)11-14-13-9(3)15(11)10-4-6-12-7-5-10;1-2/h8,10,12H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine?
ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 238.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 142910584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).