1-phenylmethoxy-1,2,4-triazolidine

C9H13N3O — CID 174937405

IUPAC1-phenylmethoxy-1,2,4-triazolidine
SMILESc1ccc(CON2CNCN2)cc1
InChIInChI=1S/C9H13N3O/c1-2-4-9(5-3-1)6-13-12-8-10-7-11-12/h1-5,10-11H,6-8H2
InChIKeyYMBGEZSYNSFVAN-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.44
Rot. Bonds3

About 1-phenylmethoxy-1,2,4-triazolidine

1-phenylmethoxy-1,2,4-triazolidine (PubChem CID 174937405) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-phenylmethoxy-1,2,4-triazolidine.

Molecular Properties

Compound Name1-phenylmethoxy-1,2,4-triazolidine
PubChem CID174937405
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-phenylmethoxy-1,2,4-triazolidine
SMILESc1ccc(CON2CNCN2)cc1
InChIInChI=1S/C9H13N3O/c1-2-4-9(5-3-1)6-13-12-8-10-7-11-12/h1-5,10-11H,6-8H2
InChIKeyYMBGEZSYNSFVAN-UHFFFAOYSA-N
XLogP0.44
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-1,2,4-triazolidine?
The IUPAC name of 1-phenylmethoxy-1,2,4-triazolidine (CID 174937405) is 1-phenylmethoxy-1,2,4-triazolidine.
What is the SMILES notation for 1-phenylmethoxy-1,2,4-triazolidine?
The canonical SMILES for 1-phenylmethoxy-1,2,4-triazolidine is c1ccc(CON2CNCN2)cc1.
What is the InChIKey of 1-phenylmethoxy-1,2,4-triazolidine?
The InChIKey is YMBGEZSYNSFVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-4-9(5-3-1)6-13-12-8-10-7-11-12/h1-5,10-11H,6-8H2.
What are the key properties of 1-phenylmethoxy-1,2,4-triazolidine?
1-phenylmethoxy-1,2,4-triazolidine has a molecular weight of 179.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-1,2,4-triazolidine is sourced from PubChem (CID 174937405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).