3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C15H15N7O — CID 135820851

IUPAC3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C\c2cnn(Cc3ccccc3)c2)[nH]c1=O
InChIInChI=1S/C15H15N7O/c1-11-14(23)18-15(21-19-11)20-16-7-13-8-17-22(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,20,21,23)/b16-7-
InChIKeyXGZHOSQANJQYNH-APSNUPSMSA-N
MW309.33 g/mol
LogP1.16
Rot. Bonds5

About 3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135820851) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135820851
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C\c2cnn(Cc3ccccc3)c2)[nH]c1=O
InChIInChI=1S/C15H15N7O/c1-11-14(23)18-15(21-19-11)20-16-7-13-8-17-22(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,20,21,23)/b16-7-
InChIKeyXGZHOSQANJQYNH-APSNUPSMSA-N
XLogP1.16
TPSA100.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135820851) is 3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C\c2cnn(Cc3ccccc3)c2)[nH]c1=O.
What is the InChIKey of 3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is XGZHOSQANJQYNH-APSNUPSMSA-N. The full InChI is InChI=1S/C15H15N7O/c1-11-14(23)18-15(21-19-11)20-16-7-13-8-17-22(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,18,20,21,23)/b16-7-.
What are the key properties of 3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 309.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135820851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).