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

C11H20N4 — CID 63138019

IUPAC3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)c1nc(C2(C)CCCNC2)n[nH]1
InChIInChI=1S/C11H20N4/c1-8(2)9-13-10(15-14-9)11(3)5-4-6-12-7-11/h8,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyPOFDPKLTWZMKIQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.57
Rot. Bonds2

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

3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine (PubChem CID 63138019) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine
PubChem CID63138019
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)c1nc(C2(C)CCCNC2)n[nH]1
InChIInChI=1S/C11H20N4/c1-8(2)9-13-10(15-14-9)11(3)5-4-6-12-7-11/h8,12H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyPOFDPKLTWZMKIQ-UHFFFAOYSA-N
XLogP1.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine (CID 63138019) is 3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine is CC(C)c1nc(C2(C)CCCNC2)n[nH]1.
What is the InChIKey of 3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine?
The InChIKey is POFDPKLTWZMKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)9-13-10(15-14-9)11(3)5-4-6-12-7-11/h8,12H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine?
3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine has a molecular weight of 208.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 63138019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).