5-methyl-2-phenyltriazole-4-carbohydrazide

C10H11N5O — CID 2774345

IUPAC5-methyl-2-phenyltriazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NN
InChIInChI=1S/C10H11N5O/c1-7-9(10(16)12-11)14-15(13-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3,(H,12,16)
InChIKeyMJJMGWDMMYKRMM-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.18
Rot. Bonds2

About 5-methyl-2-phenyltriazole-4-carbohydrazide

5-methyl-2-phenyltriazole-4-carbohydrazide (PubChem CID 2774345) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-methyl-2-phenyltriazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-2-phenyltriazole-4-carbohydrazide
PubChem CID2774345
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-methyl-2-phenyltriazole-4-carbohydrazide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NN
InChIInChI=1S/C10H11N5O/c1-7-9(10(16)12-11)14-15(13-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3,(H,12,16)
InChIKeyMJJMGWDMMYKRMM-UHFFFAOYSA-N
XLogP0.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-phenyltriazole-4-carbohydrazide?
The IUPAC name of 5-methyl-2-phenyltriazole-4-carbohydrazide (CID 2774345) is 5-methyl-2-phenyltriazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-2-phenyltriazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-2-phenyltriazole-4-carbohydrazide is Cc1nn(-c2ccccc2)nc1C(=O)NN.
What is the InChIKey of 5-methyl-2-phenyltriazole-4-carbohydrazide?
The InChIKey is MJJMGWDMMYKRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7-9(10(16)12-11)14-15(13-7)8-5-3-2-4-6-8/h2-6H,11H2,1H3,(H,12,16).
What are the key properties of 5-methyl-2-phenyltriazole-4-carbohydrazide?
5-methyl-2-phenyltriazole-4-carbohydrazide has a molecular weight of 217.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyltriazole-4-carbohydrazide is sourced from PubChem (CID 2774345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).