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

C14H15N5O — CID 135446632

IUPAC6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(/C=N/Nc1nnc(C)c(=O)[nH]1)=C\c1ccccc1
InChIInChI=1S/C14H15N5O/c1-10(8-12-6-4-3-5-7-12)9-15-18-14-16-13(20)11(2)17-19-14/h3-9H,1-2H3,(H2,16,18,19,20)/b10-8+,15-9+
InChIKeyKELFINLXRFAQTH-BPNXTJCCSA-N
MW269.31 g/mol
LogP1.97
Rot. Bonds4

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

6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (PubChem CID 135446632) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
PubChem CID135446632
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
SMILESCC(/C=N/Nc1nnc(C)c(=O)[nH]1)=C\c1ccccc1
InChIInChI=1S/C14H15N5O/c1-10(8-12-6-4-3-5-7-12)9-15-18-14-16-13(20)11(2)17-19-14/h3-9H,1-2H3,(H2,16,18,19,20)/b10-8+,15-9+
InChIKeyKELFINLXRFAQTH-BPNXTJCCSA-N
XLogP1.97
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.97
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-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one (CID 135446632) is 6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is CC(/C=N/Nc1nnc(C)c(=O)[nH]1)=C\c1ccccc1.
What is the InChIKey of 6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
The InChIKey is KELFINLXRFAQTH-BPNXTJCCSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10(8-12-6-4-3-5-7-12)9-15-18-14-16-13(20)11(2)17-19-14/h3-9H,1-2H3,(H2,16,18,19,20)/b10-8+,15-9+.
What are the key properties of 6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[(2E)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one has a molecular weight of 269.31 g/mol, XLogP of 1.97, 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-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135446632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).