5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine

C15H17N5O — CID 159713443

IUPAC5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine
SMILESCc1nn(-c2ccccc2)c(=O)[nH]1.NNc1ccccc1
InChIInChI=1S/C9H9N3O.C6H8N2/c1-7-10-9(13)12(11-7)8-5-3-2-4-6-8;7-8-6-4-2-1-3-5-6/h2-6H,1H3,(H,10,11,13);1-5,8H,7H2
InChIKeyMZDBCZFZXQVFTR-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.84
Rot. Bonds2

About 5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine

5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine (PubChem CID 159713443) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine.

Molecular Properties

Compound Name5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine
PubChem CID159713443
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine
SMILESCc1nn(-c2ccccc2)c(=O)[nH]1.NNc1ccccc1
InChIInChI=1S/C9H9N3O.C6H8N2/c1-7-10-9(13)12(11-7)8-5-3-2-4-6-8;7-8-6-4-2-1-3-5-6/h2-6H,1H3,(H,10,11,13);1-5,8H,7H2
InChIKeyMZDBCZFZXQVFTR-UHFFFAOYSA-N
XLogP1.84
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine?
The IUPAC name of 5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine (CID 159713443) is 5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine.
What is the SMILES notation for 5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine?
The canonical SMILES for 5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine is Cc1nn(-c2ccccc2)c(=O)[nH]1.NNc1ccccc1.
What is the InChIKey of 5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine?
The InChIKey is MZDBCZFZXQVFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C6H8N2/c1-7-10-9(13)12(11-7)8-5-3-2-4-6-8;7-8-6-4-2-1-3-5-6/h2-6H,1H3,(H,10,11,13);1-5,8H,7H2.
What are the key properties of 5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine?
5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine has a molecular weight of 283.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4H-1,2,4-triazol-3-one;phenylhydrazine is sourced from PubChem (CID 159713443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).