N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide

C15H18N4O — CID 146085705

IUPACN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(C)n2C2CC2)cc1
InChIInChI=1S/C15H18N4O/c1-10-3-5-12(6-4-10)9-14(20)16-15-18-17-11(2)19(15)13-7-8-13/h3-6,13H,7-9H2,1-2H3,(H,16,18,20)
InChIKeyPGAOXFVWJKXTAI-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.41
Rot. Bonds4

About N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide

N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide (PubChem CID 146085705) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide
PubChem CID146085705
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(C)n2C2CC2)cc1
InChIInChI=1S/C15H18N4O/c1-10-3-5-12(6-4-10)9-14(20)16-15-18-17-11(2)19(15)13-7-8-13/h3-6,13H,7-9H2,1-2H3,(H,16,18,20)
InChIKeyPGAOXFVWJKXTAI-UHFFFAOYSA-N
XLogP2.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide (CID 146085705) is N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2nnc(C)n2C2CC2)cc1.
What is the InChIKey of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is PGAOXFVWJKXTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-3-5-12(6-4-10)9-14(20)16-15-18-17-11(2)19(15)13-7-8-13/h3-6,13H,7-9H2,1-2H3,(H,16,18,20).
What are the key properties of N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide?
N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 270.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 146085705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).