5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine

C12H16N4O2 — CID 112596566

IUPAC5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cccc(OC)c2OC)n1C
InChIInChI=1S/C12H16N4O2/c1-13-12-15-14-11(16(12)2)8-6-5-7-9(17-3)10(8)18-4/h5-7H,1-4H3,(H,13,15)
InChIKeyYVKXDSKUWKXRMB-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.54
Rot. Bonds4

About 5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596566) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596566
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2cccc(OC)c2OC)n1C
InChIInChI=1S/C12H16N4O2/c1-13-12-15-14-11(16(12)2)8-6-5-7-9(17-3)10(8)18-4/h5-7H,1-4H3,(H,13,15)
InChIKeyYVKXDSKUWKXRMB-UHFFFAOYSA-N
XLogP1.54
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,12-bis(2,3-dimethoxyphenyl)-1,2,4,5,7,8,10,11-octazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 156905120
[5-(2,6-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]hydrazine
CID 35754947
6-(2,3-dimethoxyphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 82793961
5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596565
3-(2,3-dimethoxyphenyl)-4-ethyl-1,2,4-triazole
CID 113301247
5-methoxy-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596602
5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596472
4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole
CID 162634053
5-(2,3-dimethoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 116811899
5-(2,3-dimethoxyphenyl)-2-methyl-1H-1,2,4-triazole-3-thione
CID 104602097
5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83882734
5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 106851433

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596566) is 5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(-c2cccc(OC)c2OC)n1C.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is YVKXDSKUWKXRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-13-12-15-14-11(16(12)2)8-6-5-7-9(17-3)10(8)18-4/h5-7H,1-4H3,(H,13,15).
What are the key properties of 5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 248.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).