5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one

C10H12N4O2 — CID 82841610

IUPAC5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one
SMILESCOc1ccccc1-n1c(N)nn(C)c1=O
InChIInChI=1S/C10H12N4O2/c1-13-10(15)14(9(11)12-13)7-5-3-4-6-8(7)16-2/h3-6H,1-2H3,(H2,11,12)
InChIKeyAFZHKNYDFWPNAW-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.16
Rot. Bonds2

About 5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one

5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one (PubChem CID 82841610) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one
PubChem CID82841610
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one
SMILESCOc1ccccc1-n1c(N)nn(C)c1=O
InChIInChI=1S/C10H12N4O2/c1-13-10(15)14(9(11)12-13)7-5-3-4-6-8(7)16-2/h3-6H,1-2H3,(H2,11,12)
InChIKeyAFZHKNYDFWPNAW-UHFFFAOYSA-N
XLogP0.16
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one?
The IUPAC name of 5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one (CID 82841610) is 5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one is COc1ccccc1-n1c(N)nn(C)c1=O.
What is the InChIKey of 5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one?
The InChIKey is AFZHKNYDFWPNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-13-10(15)14(9(11)12-13)7-5-3-4-6-8(7)16-2/h3-6H,1-2H3,(H2,11,12).
What are the key properties of 5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one?
5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one has a molecular weight of 220.23 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methoxyphenyl)-2-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 82841610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).