4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one

C10H12N4O — CID 19378051

IUPAC4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one
SMILESCN1NN=C(c2ccccc2)C(=O)C1N
InChIInChI=1S/C10H12N4O/c1-14-10(11)9(15)8(12-13-14)7-5-3-2-4-6-7/h2-6,10,13H,11H2,1H3
InChIKeyBUQINPVSJBUDPU-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.31
Rot. Bonds1

About 4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one

4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one (PubChem CID 19378051) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one.

Molecular Properties

Compound Name4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one
PubChem CID19378051
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one
SMILESCN1NN=C(c2ccccc2)C(=O)C1N
InChIInChI=1S/C10H12N4O/c1-14-10(11)9(15)8(12-13-14)7-5-3-2-4-6-7/h2-6,10,13H,11H2,1H3
InChIKeyBUQINPVSJBUDPU-UHFFFAOYSA-N
XLogP-0.31
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one?
The IUPAC name of 4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one (CID 19378051) is 4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one.
What is the SMILES notation for 4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one?
The canonical SMILES for 4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one is CN1NN=C(c2ccccc2)C(=O)C1N.
What is the InChIKey of 4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one?
The InChIKey is BUQINPVSJBUDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-14-10(11)9(15)8(12-13-14)7-5-3-2-4-6-7/h2-6,10,13H,11H2,1H3.
What are the key properties of 4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one?
4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one has a molecular weight of 204.23 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-6-phenyl-2,4-dihydrotriazin-5-one is sourced from PubChem (CID 19378051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).