4-(3-cyclopropylphenoxy)triazolidine

C11H15N3O — CID 165414405

IUPAC4-(3-cyclopropylphenoxy)triazolidine
SMILESc1cc(OC2CNNN2)cc(C2CC2)c1
InChIInChI=1S/C11H15N3O/c1-2-9(8-4-5-8)6-10(3-1)15-11-7-12-14-13-11/h1-3,6,8,11-14H,4-5,7H2
InChIKeyKREWQPRCRSLCMD-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.88
Rot. Bonds3

About 4-(3-cyclopropylphenoxy)triazolidine

4-(3-cyclopropylphenoxy)triazolidine (PubChem CID 165414405) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(3-cyclopropylphenoxy)triazolidine.

Molecular Properties

Compound Name4-(3-cyclopropylphenoxy)triazolidine
PubChem CID165414405
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-(3-cyclopropylphenoxy)triazolidine
SMILESc1cc(OC2CNNN2)cc(C2CC2)c1
InChIInChI=1S/C11H15N3O/c1-2-9(8-4-5-8)6-10(3-1)15-11-7-12-14-13-11/h1-3,6,8,11-14H,4-5,7H2
InChIKeyKREWQPRCRSLCMD-UHFFFAOYSA-N
XLogP0.88
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylphenoxy)triazolidine?
The IUPAC name of 4-(3-cyclopropylphenoxy)triazolidine (CID 165414405) is 4-(3-cyclopropylphenoxy)triazolidine.
What is the SMILES notation for 4-(3-cyclopropylphenoxy)triazolidine?
The canonical SMILES for 4-(3-cyclopropylphenoxy)triazolidine is c1cc(OC2CNNN2)cc(C2CC2)c1.
What is the InChIKey of 4-(3-cyclopropylphenoxy)triazolidine?
The InChIKey is KREWQPRCRSLCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-9(8-4-5-8)6-10(3-1)15-11-7-12-14-13-11/h1-3,6,8,11-14H,4-5,7H2.
What are the key properties of 4-(3-cyclopropylphenoxy)triazolidine?
4-(3-cyclopropylphenoxy)triazolidine has a molecular weight of 205.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylphenoxy)triazolidine is sourced from PubChem (CID 165414405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).