6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one

C13H15N5O — CID 135412003

IUPAC6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/C(C)c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H15N5O/c1-9(11-6-4-3-5-7-11)8-14-17-13-15-12(19)10(2)16-18-13/h3-9H,1-2H3,(H2,15,17,18,19)/b14-8+
InChIKeyJHUPIVHWRIXQRM-RIYZIHGNSA-N
MW257.30 g/mol
LogP1.67
Rot. Bonds4

About 6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one

6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135412003) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135412003
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C/C(C)c2ccccc2)[nH]c1=O
InChIInChI=1S/C13H15N5O/c1-9(11-6-4-3-5-7-11)8-14-17-13-15-12(19)10(2)16-18-13/h3-9H,1-2H3,(H2,15,17,18,19)/b14-8+
InChIKeyJHUPIVHWRIXQRM-RIYZIHGNSA-N
XLogP1.67
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135412003) is 6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C/C(C)c2ccccc2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is JHUPIVHWRIXQRM-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9(11-6-4-3-5-7-11)8-14-17-13-15-12(19)10(2)16-18-13/h3-9H,1-2H3,(H2,15,17,18,19)/b14-8+.
What are the key properties of 6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 257.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2E)-2-(2-phenylpropylidene)hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135412003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).