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

C11H20N4 — CID 106745235

IUPAC2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCC1CC(c2nc(C(C)C)n[nH]2)CCN1
InChIInChI=1S/C11H20N4/c1-7(2)10-13-11(15-14-10)9-4-5-12-8(3)6-9/h7-9,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyZMZFUISCQFCLAS-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.78
Rot. Bonds2

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

2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 106745235) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
PubChem CID106745235
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCC1CC(c2nc(C(C)C)n[nH]2)CCN1
InChIInChI=1S/C11H20N4/c1-7(2)10-13-11(15-14-10)9-4-5-12-8(3)6-9/h7-9,12H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyZMZFUISCQFCLAS-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine (CID 106745235) is 2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine is CC1CC(c2nc(C(C)C)n[nH]2)CCN1.
What is the InChIKey of 2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is ZMZFUISCQFCLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-7(2)10-13-11(15-14-10)9-4-5-12-8(3)6-9/h7-9,12H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine?
2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 208.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 106745235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).