4-(3-propan-2-ylphenoxy)triazolidine

C11H17N3O — CID 165414390

IUPAC4-(3-propan-2-ylphenoxy)triazolidine
SMILESCC(C)c1cccc(OC2CNNN2)c1
InChIInChI=1S/C11H17N3O/c1-8(2)9-4-3-5-10(6-9)15-11-7-12-14-13-11/h3-6,8,11-14H,7H2,1-2H3
InChIKeyOUKQVSKBCCWPCX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.13
Rot. Bonds3

About 4-(3-propan-2-ylphenoxy)triazolidine

4-(3-propan-2-ylphenoxy)triazolidine (PubChem CID 165414390) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(3-propan-2-ylphenoxy)triazolidine.

Molecular Properties

Compound Name4-(3-propan-2-ylphenoxy)triazolidine
PubChem CID165414390
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(3-propan-2-ylphenoxy)triazolidine
SMILESCC(C)c1cccc(OC2CNNN2)c1
InChIInChI=1S/C11H17N3O/c1-8(2)9-4-3-5-10(6-9)15-11-7-12-14-13-11/h3-6,8,11-14H,7H2,1-2H3
InChIKeyOUKQVSKBCCWPCX-UHFFFAOYSA-N
XLogP1.13
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine
CID 165414398
4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
CID 63703160
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
3-(3-propan-2-ylphenoxy)piperidine
CID 45075406
3-(3-propan-2-ylphenoxy)cyclobutan-1-one
CID 66366168
4-(3-propan-2-ylphenoxy)oxane
CID 126724587
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane
CID 163218689
methyl (2S,4S)-4-(3-propan-2-ylphenoxy)pyrrolidine-2-carboxylate
CID 26192753
3-(3-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79618801
2-ethoxy-3-(3-propan-2-ylphenoxy)cyclobutan-1-ol
CID 104675275
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylphenoxy)triazolidine?
The IUPAC name of 4-(3-propan-2-ylphenoxy)triazolidine (CID 165414390) is 4-(3-propan-2-ylphenoxy)triazolidine.
What is the SMILES notation for 4-(3-propan-2-ylphenoxy)triazolidine?
The canonical SMILES for 4-(3-propan-2-ylphenoxy)triazolidine is CC(C)c1cccc(OC2CNNN2)c1.
What is the InChIKey of 4-(3-propan-2-ylphenoxy)triazolidine?
The InChIKey is OUKQVSKBCCWPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)9-4-3-5-10(6-9)15-11-7-12-14-13-11/h3-6,8,11-14H,7H2,1-2H3.
What are the key properties of 4-(3-propan-2-ylphenoxy)triazolidine?
4-(3-propan-2-ylphenoxy)triazolidine has a molecular weight of 207.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-ylphenoxy)triazolidine is sourced from PubChem (CID 165414390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).