N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide

C13H17N5O2 — CID 98019158

IUPACN-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1-c1nc(CN)nn1C
InChIInChI=1S/C13H17N5O2/c1-8(19)15-9-4-5-11(20-3)10(6-9)13-16-12(7-14)17-18(13)2/h4-6H,7,14H2,1-3H3,(H,15,19)
InChIKeyHEQJCCFOXDDMDW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.91
Rot. Bonds4

About N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide

N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide (PubChem CID 98019158) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide
PubChem CID98019158
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1-c1nc(CN)nn1C
InChIInChI=1S/C13H17N5O2/c1-8(19)15-9-4-5-11(20-3)10(6-9)13-16-12(7-14)17-18(13)2/h4-6H,7,14H2,1-3H3,(H,15,19)
InChIKeyHEQJCCFOXDDMDW-UHFFFAOYSA-N
XLogP0.91
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472126
[5-(2-chloro-4-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481633
N-[4-methoxy-3-[2-methoxy-5-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
CID 101275812
N-[3-(4-chlorophenyl)-4-methoxyphenyl]acetamide
CID 10636150
N-[3-(5-aminothiophen-2-yl)-4-methoxyphenyl]acetamide
CID 82485607
3-[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]propanoic acid
CID 82485015
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406
N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
CID 96659275
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
N-[3-(2-bromoacetyl)-4-methoxyphenyl]acetamide
CID 82489606
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
N-(5-acetamido-2-methoxyphenyl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 16820968

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide (CID 98019158) is N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1-c1nc(CN)nn1C.
What is the InChIKey of N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide?
The InChIKey is HEQJCCFOXDDMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8(19)15-9-4-5-11(20-3)10(6-9)13-16-12(7-14)17-18(13)2/h4-6H,7,14H2,1-3H3,(H,15,19).
What are the key properties of N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide?
N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 98019158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).