4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine

C11H20N4O — CID 115293386

IUPAC4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine
SMILESCC(C)Cn1cnnc1C1(N)CCOCC1
InChIInChI=1S/C11H20N4O/c1-9(2)7-15-8-13-14-10(15)11(12)3-5-16-6-4-11/h8-9H,3-7,12H2,1-2H3
InChIKeyOXAYJZHSKIBWQA-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.90
Rot. Bonds3

About 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine

4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine (PubChem CID 115293386) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine
PubChem CID115293386
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine
SMILESCC(C)Cn1cnnc1C1(N)CCOCC1
InChIInChI=1S/C11H20N4O/c1-9(2)7-15-8-13-14-10(15)11(12)3-5-16-6-4-11/h8-9H,3-7,12H2,1-2H3
InChIKeyOXAYJZHSKIBWQA-UHFFFAOYSA-N
XLogP0.90
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine?
The IUPAC name of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine (CID 115293386) is 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine.
What is the SMILES notation for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine?
The canonical SMILES for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine is CC(C)Cn1cnnc1C1(N)CCOCC1.
What is the InChIKey of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine?
The InChIKey is OXAYJZHSKIBWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)7-15-8-13-14-10(15)11(12)3-5-16-6-4-11/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine?
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine has a molecular weight of 224.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxan-4-amine is sourced from PubChem (CID 115293386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).