5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide

C17H17N7O — CID 172994889

IUPAC5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
SMILESCc1ccc(-n2nnc(C(=O)NNc3ncccn3)c2C2CC2)cc1
InChIInChI=1S/C17H17N7O/c1-11-3-7-13(8-4-11)24-15(12-5-6-12)14(20-23-24)16(25)21-22-17-18-9-2-10-19-17/h2-4,7-10,12H,5-6H2,1H3,(H,21,25)(H,18,19,22)
InChIKeyBUYXNSRTFMZIDQ-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.00
Rot. Bonds5

About 5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide

5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide (PubChem CID 172994889) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide.

Molecular Properties

Compound Name5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
PubChem CID172994889
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide
SMILESCc1ccc(-n2nnc(C(=O)NNc3ncccn3)c2C2CC2)cc1
InChIInChI=1S/C17H17N7O/c1-11-3-7-13(8-4-11)24-15(12-5-6-12)14(20-23-24)16(25)21-22-17-18-9-2-10-19-17/h2-4,7-10,12H,5-6H2,1H3,(H,21,25)(H,18,19,22)
InChIKeyBUYXNSRTFMZIDQ-UHFFFAOYSA-N
XLogP2.00
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide?
The IUPAC name of 5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide (CID 172994889) is 5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide.
What is the SMILES notation for 5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide?
The canonical SMILES for 5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide is Cc1ccc(-n2nnc(C(=O)NNc3ncccn3)c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide?
The InChIKey is BUYXNSRTFMZIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-11-3-7-13(8-4-11)24-15(12-5-6-12)14(20-23-24)16(25)21-22-17-18-9-2-10-19-17/h2-4,7-10,12H,5-6H2,1H3,(H,21,25)(H,18,19,22).
What are the key properties of 5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide?
5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide has a molecular weight of 335.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4-methylphenyl)-N'-pyrimidin-2-yltriazole-4-carbohydrazide is sourced from PubChem (CID 172994889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).