4-methyl-1-phenyl-1,2,4-triazinane

C10H15N3 — CID 169115311

IUPAC4-methyl-1-phenyl-1,2,4-triazinane
SMILESCN1CCN(c2ccccc2)NC1
InChIInChI=1S/C10H15N3/c1-12-7-8-13(11-9-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyFIRXJAFAINSJNJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.90
Rot. Bonds1

About 4-methyl-1-phenyl-1,2,4-triazinane

4-methyl-1-phenyl-1,2,4-triazinane (PubChem CID 169115311) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-methyl-1-phenyl-1,2,4-triazinane.

Molecular Properties

Compound Name4-methyl-1-phenyl-1,2,4-triazinane
PubChem CID169115311
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-methyl-1-phenyl-1,2,4-triazinane
SMILESCN1CCN(c2ccccc2)NC1
InChIInChI=1S/C10H15N3/c1-12-7-8-13(11-9-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKeyFIRXJAFAINSJNJ-UHFFFAOYSA-N
XLogP0.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-1,2,4-triazinane?
The IUPAC name of 4-methyl-1-phenyl-1,2,4-triazinane (CID 169115311) is 4-methyl-1-phenyl-1,2,4-triazinane.
What is the SMILES notation for 4-methyl-1-phenyl-1,2,4-triazinane?
The canonical SMILES for 4-methyl-1-phenyl-1,2,4-triazinane is CN1CCN(c2ccccc2)NC1.
What is the InChIKey of 4-methyl-1-phenyl-1,2,4-triazinane?
The InChIKey is FIRXJAFAINSJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-12-7-8-13(11-9-12)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3.
What are the key properties of 4-methyl-1-phenyl-1,2,4-triazinane?
4-methyl-1-phenyl-1,2,4-triazinane has a molecular weight of 177.25 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-1,2,4-triazinane is sourced from PubChem (CID 169115311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).