4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine

C13H24N4 — CID 59903746

IUPAC4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
SMILESCCc1nnc(C)n1C1CCN(C(C)C)CC1
InChIInChI=1S/C13H24N4/c1-5-13-15-14-11(4)17(13)12-6-8-16(9-7-12)10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyUVHKPEZYLXZECD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.19
Rot. Bonds3

About 4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine

4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine (PubChem CID 59903746) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
PubChem CID59903746
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
SMILESCCc1nnc(C)n1C1CCN(C(C)C)CC1
InChIInChI=1S/C13H24N4/c1-5-13-15-14-11(4)17(13)12-6-8-16(9-7-12)10(2)3/h10,12H,5-9H2,1-4H3
InChIKeyUVHKPEZYLXZECD-UHFFFAOYSA-N
XLogP2.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
CID 59903777
3-[4-(3-ethyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidin-1-yl]propylphosphane
CID 143691596
4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 82013658
[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol
CID 110912855
4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl-methylamino]butan-2-ol
CID 111488526
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylbutanamide
CID 86784884
5-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 61377064
1,4-di(propan-2-yl)piperidine
CID 21303253
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318836
N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 61361161
3-chloro-5-ethyl-4-(4-methylcyclohexyl)-1,2,4-triazole
CID 63384450
3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 61362176

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine (CID 59903746) is 4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine is CCc1nnc(C)n1C1CCN(C(C)C)CC1.
What is the InChIKey of 4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
The InChIKey is UVHKPEZYLXZECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-13-15-14-11(4)17(13)12-6-8-16(9-7-12)10(2)3/h10,12H,5-9H2,1-4H3.
What are the key properties of 4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine has a molecular weight of 236.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-5-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 59903746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).