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

C11H20N4 — CID 45097111

IUPAC4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
SMILESCc1nnc(C(C)C)n1C1CCNCC1
InChIInChI=1S/C11H20N4/c1-8(2)11-14-13-9(3)15(11)10-4-6-12-7-5-10/h8,10,12H,4-7H2,1-3H3
InChIKeyGAQAYIMKNXXARO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.63
Rot. Bonds2

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

4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine (PubChem CID 45097111) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
PubChem CID45097111
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine
SMILESCc1nnc(C(C)C)n1C1CCNCC1
InChIInChI=1S/C11H20N4/c1-8(2)11-14-13-9(3)15(11)10-4-6-12-7-5-10/h8,10,12H,4-7H2,1-3H3
InChIKeyGAQAYIMKNXXARO-UHFFFAOYSA-N
XLogP1.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine (CID 45097111) is 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine is Cc1nnc(C(C)C)n1C1CCNCC1.
What is the InChIKey of 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine?
The InChIKey is GAQAYIMKNXXARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)11-14-13-9(3)15(11)10-4-6-12-7-5-10/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine?
4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine has a molecular weight of 208.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 45097111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).