4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine

C12H17N3O — CID 165414398

IUPAC4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine
SMILESCC(C)=Cc1cccc(OC2CNNN2)c1
InChIInChI=1S/C12H17N3O/c1-9(2)6-10-4-3-5-11(7-10)16-12-8-13-15-14-12/h3-7,12-15H,8H2,1-2H3
InChIKeyMDQDCTKIKCKWNL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.43
Rot. Bonds3

About 4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine

4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine (PubChem CID 165414398) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine.

Molecular Properties

Compound Name4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine
PubChem CID165414398
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine
SMILESCC(C)=Cc1cccc(OC2CNNN2)c1
InChIInChI=1S/C12H17N3O/c1-9(2)6-10-4-3-5-11(7-10)16-12-8-13-15-14-12/h3-7,12-15H,8H2,1-2H3
InChIKeyMDQDCTKIKCKWNL-UHFFFAOYSA-N
XLogP1.43
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-propan-2-ylphenoxy)triazolidine
CID 165414390
4-(3-cyclopropylphenoxy)triazolidine
CID 165414405
1-ethoxy-3-(2-methylprop-1-enyl)benzene
CID 139695062
1-(2-methylprop-1-enyl)-3-prop-2-enoxybenzene
CID 170196705
2-hydroxy-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one
CID 158650341
3-[1-(3-methoxyphenyl)prop-1-en-2-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 70437131
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
methyl 3-[3-(2-methylprop-1-enyl)phenyl]prop-2-enoate
CID 139611465
3-(2-methylprop-1-enyl)benzoic acid
CID 144799452
2-methyl-6-(2-methylprop-1-enyl)cyclohepta-2,4,6-trien-1-one
CID 159578840
3-(3-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79329386
3-pyrrolidin-3-yloxybenzaldehyde
CID 87190134

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine?
The IUPAC name of 4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine (CID 165414398) is 4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine.
What is the SMILES notation for 4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine?
The canonical SMILES for 4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine is CC(C)=Cc1cccc(OC2CNNN2)c1.
What is the InChIKey of 4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine?
The InChIKey is MDQDCTKIKCKWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)6-10-4-3-5-11(7-10)16-12-8-13-15-14-12/h3-7,12-15H,8H2,1-2H3.
What are the key properties of 4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine?
4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine has a molecular weight of 219.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylprop-1-enyl)phenoxy]triazolidine is sourced from PubChem (CID 165414398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).