1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine

C12H16N4O2 — CID 169248346

IUPAC1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine
SMILESCNc1nnn(-c2cc(OC)ccc2OC)c1C
InChIInChI=1S/C12H16N4O2/c1-8-12(13-2)14-15-16(8)10-7-9(17-3)5-6-11(10)18-4/h5-7,13H,1-4H3
InChIKeyLBRJIRVCVGZMDZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.63
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine

1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine (PubChem CID 169248346) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine
PubChem CID169248346
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine
SMILESCNc1nnn(-c2cc(OC)ccc2OC)c1C
InChIInChI=1S/C12H16N4O2/c1-8-12(13-2)14-15-16(8)10-7-9(17-3)5-6-11(10)18-4/h5-7,13H,1-4H3
InChIKeyLBRJIRVCVGZMDZ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzenesulfonamide
CID 169248063
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 82198687
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-sulfonyl chloride
CID 169248208
N-[3-tert-butyl-5-(methylamino)phenyl]-1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 169248314
1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine
CID 82466679
2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide
CID 169248043
(4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate
CID 130472192
N-(4-tert-butylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazol-4-amine
CID 130471929
4-(4-tert-butyl-2-methylphenyl)sulfonyl-1-(2,5-dimethoxyphenyl)-5-methyltriazole
CID 160604411
[3-(2,5-dimethoxyphenyl)-6-methylbenzotriazol-4-yl]-trimethylsilane
CID 71658682
1-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carbothioamide
CID 82527837
1-(2,5-dimethoxyphenyl)-6-methyl-3-(methylaminomethyl)pyridazin-4-one
CID 82420725

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine (CID 169248346) is 1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine is CNc1nnn(-c2cc(OC)ccc2OC)c1C.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine?
The InChIKey is LBRJIRVCVGZMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-12(13-2)14-15-16(8)10-7-9(17-3)5-6-11(10)18-4/h5-7,13H,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine?
1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine has a molecular weight of 248.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine is sourced from PubChem (CID 169248346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).