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

C11H20N4 — CID 59903775

IUPAC4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
SMILESCc1nncn1C1CCN(C(C)C)CC1
InChIInChI=1S/C11H20N4/c1-9(2)14-6-4-11(5-7-14)15-8-12-13-10(15)3/h8-9,11H,4-7H2,1-3H3
InChIKeyDJYNMECSDXSAGJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.63
Rot. Bonds2

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

4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine (PubChem CID 59903775) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
PubChem CID59903775
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine
SMILESCc1nncn1C1CCN(C(C)C)CC1
InChIInChI=1S/C11H20N4/c1-9(2)14-6-4-11(5-7-14)15-8-12-13-10(15)3/h8-9,11H,4-7H2,1-3H3
InChIKeyDJYNMECSDXSAGJ-UHFFFAOYSA-N
XLogP1.63
TPSA33.95 Ų
H-Bond Donors
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 ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine (CID 59903775) is 4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine is Cc1nncn1C1CCN(C(C)C)CC1.
What is the InChIKey of 4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
The InChIKey is DJYNMECSDXSAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)14-6-4-11(5-7-14)15-8-12-13-10(15)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine?
4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine has a molecular weight of 208.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-triazol-4-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 59903775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).