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

C17H23N5O — CID 126838107

IUPAC2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2nc(C3CC3)nn2C)cc1
InChIInChI=1S/C17H23N5O/c1-12-4-8-14(9-5-12)18-16(23)11-21(2)10-15-19-17(13-6-7-13)20-22(15)3/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,18,23)
InChIKeyQSHQCWUNLICKDS-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.07
Rot. Bonds6

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

2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 126838107) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID126838107
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2nc(C3CC3)nn2C)cc1
InChIInChI=1S/C17H23N5O/c1-12-4-8-14(9-5-12)18-16(23)11-21(2)10-15-19-17(13-6-7-13)20-22(15)3/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,18,23)
InChIKeyQSHQCWUNLICKDS-UHFFFAOYSA-N
XLogP2.07
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 22196270
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
2-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729509
N-(4-ethylphenyl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
CID 22196576
2-[methyl-(4-oxocyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 79119762
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9102879
2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785485
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
2-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588778

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide (CID 126838107) is 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2nc(C3CC3)nn2C)cc1.
What is the InChIKey of 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is QSHQCWUNLICKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-4-8-14(9-5-12)18-16(23)11-21(2)10-15-19-17(13-6-7-13)20-22(15)3/h4-5,8-9,13H,6-7,10-11H2,1-3H3,(H,18,23).
What are the key properties of 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 126838107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).