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

C11H20N4 — CID 176692830

IUPAC4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2ncn(C)n2)CC1
InChIInChI=1S/C11H20N4/c1-9(2)15-6-4-10(5-7-15)11-12-8-14(3)13-11/h8-10H,4-7H2,1-3H3
InChIKeyUWYAUMSTBZZDKR-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.40
Rot. Bonds2

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

4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine (PubChem CID 176692830) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine
PubChem CID176692830
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(c2ncn(C)n2)CC1
InChIInChI=1S/C11H20N4/c1-9(2)15-6-4-10(5-7-15)11-12-8-14(3)13-11/h8-10H,4-7H2,1-3H3
InChIKeyUWYAUMSTBZZDKR-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine (CID 176692830) is 4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine is CC(C)N1CCC(c2ncn(C)n2)CC1.
What is the InChIKey of 4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine?
The InChIKey is UWYAUMSTBZZDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)15-6-4-10(5-7-15)11-12-8-14(3)13-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine?
4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine has a molecular weight of 208.31 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 176692830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).