3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine

C11H20N4 — CID 62710906

IUPAC3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
SMILESCC(C)Cn1cnnc1C1CCCNC1
InChIInChI=1S/C11H20N4/c1-9(2)7-15-8-13-14-11(15)10-4-3-5-12-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyAWTYOBYGJZXPLT-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.40
Rot. Bonds3

About 3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine

3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 62710906) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID62710906
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
SMILESCC(C)Cn1cnnc1C1CCCNC1
InChIInChI=1S/C11H20N4/c1-9(2)7-15-8-13-14-11(15)10-4-3-5-12-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyAWTYOBYGJZXPLT-UHFFFAOYSA-N
XLogP1.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395675
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395572
3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
CID 94554646
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
CID 62710235
2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 64817796
3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine
CID 105461143
3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395495
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
CID 79316888

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine (CID 62710906) is 3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine is CC(C)Cn1cnnc1C1CCCNC1.
What is the InChIKey of 3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is AWTYOBYGJZXPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)7-15-8-13-14-11(15)10-4-3-5-12-6-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine?
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 208.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 62710906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).