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

C13H16N6O2 — CID 60846960

IUPAC2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
SMILESCn1cnnc1-c1ccccc1NC(=O)CNC(=O)CN
InChIInChI=1S/C13H16N6O2/c1-19-8-16-18-13(19)9-4-2-3-5-10(9)17-12(21)7-15-11(20)6-14/h2-5,8H,6-7,14H2,1H3,(H,15,20)(H,17,21)
InChIKeyMWNRSMOGVGGZRB-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.50
Rot. Bonds5

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

2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide (PubChem CID 60846960) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
PubChem CID60846960
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
SMILESCn1cnnc1-c1ccccc1NC(=O)CNC(=O)CN
InChIInChI=1S/C13H16N6O2/c1-19-8-16-18-13(19)9-4-2-3-5-10(9)17-12(21)7-15-11(20)6-14/h2-5,8H,6-7,14H2,1H3,(H,15,20)(H,17,21)
InChIKeyMWNRSMOGVGGZRB-UHFFFAOYSA-N
XLogP-0.50
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60842162
2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 79473385
2-amino-N-[2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60848681
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80543408
2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 65224910
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 43706709
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014344
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]acetamide
CID 60848997
N'-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441578
2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 60848322
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 43706680
3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
CID 64894160

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide (CID 60846960) is 2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide is Cn1cnnc1-c1ccccc1NC(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide?
The InChIKey is MWNRSMOGVGGZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-19-8-16-18-13(19)9-4-2-3-5-10(9)17-12(21)7-15-11(20)6-14/h2-5,8H,6-7,14H2,1H3,(H,15,20)(H,17,21).
What are the key properties of 2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide?
2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide has a molecular weight of 288.31 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60846960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).