3-phenylmethoxy-2,6-dihydro-1H-triazine

C10H13N3O — CID 67687704

IUPAC3-phenylmethoxy-2,6-dihydro-1H-triazine
SMILESC1=CN(OCc2ccccc2)NNC1
InChIInChI=1S/C10H13N3O/c1-2-5-10(6-3-1)9-14-13-8-4-7-11-12-13/h1-6,8,11-12H,7,9H2
InChIKeyXQOSNNBZFVAXIV-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.96
Rot. Bonds3

About 3-phenylmethoxy-2,6-dihydro-1H-triazine

3-phenylmethoxy-2,6-dihydro-1H-triazine (PubChem CID 67687704) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-phenylmethoxy-2,6-dihydro-1H-triazine.

Molecular Properties

Compound Name3-phenylmethoxy-2,6-dihydro-1H-triazine
PubChem CID67687704
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-phenylmethoxy-2,6-dihydro-1H-triazine
SMILESC1=CN(OCc2ccccc2)NNC1
InChIInChI=1S/C10H13N3O/c1-2-5-10(6-3-1)9-14-13-8-4-7-11-12-13/h1-6,8,11-12H,7,9H2
InChIKeyXQOSNNBZFVAXIV-UHFFFAOYSA-N
XLogP0.96
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-phenylmethoxy-2,6-dihydro-1H-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-2,6-dihydro-1H-triazine?
The IUPAC name of 3-phenylmethoxy-2,6-dihydro-1H-triazine (CID 67687704) is 3-phenylmethoxy-2,6-dihydro-1H-triazine.
What is the SMILES notation for 3-phenylmethoxy-2,6-dihydro-1H-triazine?
The canonical SMILES for 3-phenylmethoxy-2,6-dihydro-1H-triazine is C1=CN(OCc2ccccc2)NNC1.
What is the InChIKey of 3-phenylmethoxy-2,6-dihydro-1H-triazine?
The InChIKey is XQOSNNBZFVAXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-5-10(6-3-1)9-14-13-8-4-7-11-12-13/h1-6,8,11-12H,7,9H2.
What are the key properties of 3-phenylmethoxy-2,6-dihydro-1H-triazine?
3-phenylmethoxy-2,6-dihydro-1H-triazine has a molecular weight of 191.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-2,6-dihydro-1H-triazine is sourced from PubChem (CID 67687704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).