4-methyl-6-phenyl-2,5-dihydrotriazine

C10H11N3 — CID 12674547

IUPAC4-methyl-6-phenyl-2,5-dihydrotriazine
SMILESCC1=NNN=C(c2ccccc2)C1
InChIInChI=1S/C10H11N3/c1-8-7-10(12-13-11-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKeyOBZYCCVOGCPSMT-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.76
Rot. Bonds1

About 4-methyl-6-phenyl-2,5-dihydrotriazine

4-methyl-6-phenyl-2,5-dihydrotriazine (PubChem CID 12674547) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-methyl-6-phenyl-2,5-dihydrotriazine.

Molecular Properties

Compound Name4-methyl-6-phenyl-2,5-dihydrotriazine
PubChem CID12674547
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name4-methyl-6-phenyl-2,5-dihydrotriazine
SMILESCC1=NNN=C(c2ccccc2)C1
InChIInChI=1S/C10H11N3/c1-8-7-10(12-13-11-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKeyOBZYCCVOGCPSMT-UHFFFAOYSA-N
XLogP1.76
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-2,5-dihydrotriazine?
The IUPAC name of 4-methyl-6-phenyl-2,5-dihydrotriazine (CID 12674547) is 4-methyl-6-phenyl-2,5-dihydrotriazine.
What is the SMILES notation for 4-methyl-6-phenyl-2,5-dihydrotriazine?
The canonical SMILES for 4-methyl-6-phenyl-2,5-dihydrotriazine is CC1=NNN=C(c2ccccc2)C1.
What is the InChIKey of 4-methyl-6-phenyl-2,5-dihydrotriazine?
The InChIKey is OBZYCCVOGCPSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-8-7-10(12-13-11-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3.
What are the key properties of 4-methyl-6-phenyl-2,5-dihydrotriazine?
4-methyl-6-phenyl-2,5-dihydrotriazine has a molecular weight of 173.22 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-2,5-dihydrotriazine is sourced from PubChem (CID 12674547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).