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

C13H17N5O — CID 106151661

IUPAC2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCc2nncn2C)cc1
InChIInChI=1S/C13H17N5O/c1-9-3-5-10(6-4-9)12(14)13(19)15-7-11-17-16-8-18(11)2/h3-6,8,12H,7,14H2,1-2H3,(H,15,19)
InChIKeyVUPBBMSNUFGWMR-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.44
Rot. Bonds4

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

2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 106151661) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID106151661
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCc2nncn2C)cc1
InChIInChI=1S/C13H17N5O/c1-9-3-5-10(6-4-9)12(14)13(19)15-7-11-17-16-8-18(11)2/h3-6,8,12H,7,14H2,1-2H3,(H,15,19)
InChIKeyVUPBBMSNUFGWMR-UHFFFAOYSA-N
XLogP0.44
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669775
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151713
2-amino-2-phenyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
CID 119878813
(2S)-2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 61164027
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 61140363
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
2-amino-2-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 106312354
2-amino-2-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 106151636
2-fluoro-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 79777537
2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 61140554

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 106151661) is 2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide is Cc1ccc(C(N)C(=O)NCc2nncn2C)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is VUPBBMSNUFGWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-3-5-10(6-4-9)12(14)13(19)15-7-11-17-16-8-18(11)2/h3-6,8,12H,7,14H2,1-2H3,(H,15,19).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 106151661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).