N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide

C12H13N5O2 — CID 82483873

IUPACN-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2cnnc(N)n2)cc1NC(C)=O
InChIInChI=1S/C12H13N5O2/c1-7(18)15-9-5-8(3-4-11(9)19-2)10-6-14-17-12(13)16-10/h3-6H,1-2H3,(H,15,18)(H2,13,16,17)
InChIKeyWKPNEWPTJWCERB-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.09
Rot. Bonds3

About N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide

N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide (PubChem CID 82483873) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide
PubChem CID82483873
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(-c2cnnc(N)n2)cc1NC(C)=O
InChIInChI=1S/C12H13N5O2/c1-7(18)15-9-5-8(3-4-11(9)19-2)10-6-14-17-12(13)16-10/h3-6H,1-2H3,(H,15,18)(H2,13,16,17)
InChIKeyWKPNEWPTJWCERB-UHFFFAOYSA-N
XLogP1.09
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[3-(aminomethyl)pyrazin-2-yl]-2-methoxyphenyl]acetamide
CID 96668386
N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide
CID 59430003
N-(5-iodo-2-methoxyphenyl)acetamide
CID 11737859
methyl 2-acetamido-5-[6-(3,4-dimethoxyphenyl)-2-phenylpyrimidin-4-yl]benzoate
CID 137333660
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
N-(2-methoxy-5-quinoxalin-2-ylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 2993039
N-[5-(6-aminopyrimidin-4-yl)-2-ethoxyphenyl]acetamide
CID 96668388
N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)thiophen-2-yl]phenyl]acetamide
CID 141187798
N-(5-bromo-2-hydroxyphenyl)acetamide;N-(5-bromo-2-methoxyphenyl)acetamide
CID 121410401
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-[5-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-2-methoxyphenyl]acetamide
CID 84594653
N-[5-(3-amino-1H-pyrazol-5-yl)-2-ethoxyphenyl]acetamide
CID 82484529

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide (CID 82483873) is N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide is COc1ccc(-c2cnnc(N)n2)cc1NC(C)=O.
What is the InChIKey of N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide?
The InChIKey is WKPNEWPTJWCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7(18)15-9-5-8(3-4-11(9)19-2)10-6-14-17-12(13)16-10/h3-6H,1-2H3,(H,15,18)(H2,13,16,17).
What are the key properties of N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide?
N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide has a molecular weight of 259.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-amino-1,2,4-triazin-5-yl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 82483873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).