3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine

C12H22N4 — CID 84687878

IUPAC3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
SMILESCC(C)Cc1nc(CC2CCCNC2)n[nH]1
InChIInChI=1S/C12H22N4/c1-9(2)6-11-14-12(16-15-11)7-10-4-3-5-13-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyGKTWDAQVTYHLCI-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.55
Rot. Bonds4

About 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine

3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 84687878) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID84687878
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
SMILESCC(C)Cc1nc(CC2CCCNC2)n[nH]1
InChIInChI=1S/C12H22N4/c1-9(2)6-11-14-12(16-15-11)7-10-4-3-5-13-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyGKTWDAQVTYHLCI-UHFFFAOYSA-N
XLogP1.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine (CID 84687878) is 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine is CC(C)Cc1nc(CC2CCCNC2)n[nH]1.
What is the InChIKey of 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is GKTWDAQVTYHLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)6-11-14-12(16-15-11)7-10-4-3-5-13-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine?
3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine has a molecular weight of 222.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 84687878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).