2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine

C9H16N4 — CID 141069111

IUPAC2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCC1CCN(c2ncn[nH]2)C(C)C1
InChIInChI=1S/C9H16N4/c1-7-3-4-13(8(2)5-7)9-10-6-11-12-9/h6-8H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyHGKSOGGETOMJKP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.43
Rot. Bonds1

About 2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine

2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 141069111) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID141069111
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCC1CCN(c2ncn[nH]2)C(C)C1
InChIInChI=1S/C9H16N4/c1-7-3-4-13(8(2)5-7)9-10-6-11-12-9/h6-8H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyHGKSOGGETOMJKP-UHFFFAOYSA-N
XLogP1.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine (CID 141069111) is 2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine is CC1CCN(c2ncn[nH]2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is HGKSOGGETOMJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-3-4-13(8(2)5-7)9-10-6-11-12-9/h6-8H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine?
2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 180.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 141069111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).