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

C9H16N4 — CID 63138288

IUPAC3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1(C)CCCNC1
InChIInChI=1S/C9H16N4/c1-9(4-3-5-10-6-9)8-12-11-7-13(8)2/h7,10H,3-6H2,1-2H3
InChIKeyFYBYZHNDRPODQD-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.46
Rot. Bonds1

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

3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 63138288) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID63138288
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCn1cnnc1C1(C)CCCNC1
InChIInChI=1S/C9H16N4/c1-9(4-3-5-10-6-9)8-12-11-7-13(8)2/h7,10H,3-6H2,1-2H3
InChIKeyFYBYZHNDRPODQD-UHFFFAOYSA-N
XLogP0.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 63138288) is 3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cn1cnnc1C1(C)CCCNC1.
What is the InChIKey of 3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is FYBYZHNDRPODQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-9(4-3-5-10-6-9)8-12-11-7-13(8)2/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 63138288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).