1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine

C12H20N4 — CID 90026055

IUPAC1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine
SMILESCC(C)=Cc1nc(N2CCCCC2)nn1C
InChIInChI=1S/C12H20N4/c1-10(2)9-11-13-12(14-15(11)3)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3
InChIKeySFAPAFNQAZMLJG-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.23
Rot. Bonds2

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

1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 90026055) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID90026055
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine
SMILESCC(C)=Cc1nc(N2CCCCC2)nn1C
InChIInChI=1S/C12H20N4/c1-10(2)9-11-13-12(14-15(11)3)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3
InChIKeySFAPAFNQAZMLJG-UHFFFAOYSA-N
XLogP2.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine (CID 90026055) is 1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine is CC(C)=Cc1nc(N2CCCCC2)nn1C.
What is the InChIKey of 1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is SFAPAFNQAZMLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(2)9-11-13-12(14-15(11)3)16-7-5-4-6-8-16/h9H,4-8H2,1-3H3.
What are the key properties of 1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine?
1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 220.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(2-methylprop-1-enyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 90026055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).