6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine

C11H12N4O2 — CID 116822972

IUPAC6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine
SMILESCOc1ccc(OC)c(-c2nncnc2N)c1
InChIInChI=1S/C11H12N4O2/c1-16-7-3-4-9(17-2)8(5-7)10-11(12)13-6-14-15-10/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyFYVZXMIOZGRBEN-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.14
Rot. Bonds3

About 6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine

6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine (PubChem CID 116822972) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine
PubChem CID116822972
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine
SMILESCOc1ccc(OC)c(-c2nncnc2N)c1
InChIInChI=1S/C11H12N4O2/c1-16-7-3-4-9(17-2)8(5-7)10-11(12)13-6-14-15-10/h3-6H,1-2H3,(H2,12,13,14)
InChIKeyFYVZXMIOZGRBEN-UHFFFAOYSA-N
XLogP1.14
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116822966
6-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116823084
2-(2,5-dimethoxyphenyl)-4-methylpyridin-3-amine
CID 114051131
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
5-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidin-4-amine
CID 82301068
[3-(2,5-dimethoxyphenyl)pyrazin-2-yl]methanamine
CID 82478923
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
6-(5-chloro-2-methoxy-3-methylphenyl)-1,2,4-triazin-5-amine
CID 116823026
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234
7-(2,5-dimethoxyphenyl)-5-(4-ethoxy-3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 19257056
3-chloro-2-(2,5-dimethoxyphenyl)-5-methylpyridine
CID 56710784
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine (CID 116822972) is 6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine is COc1ccc(OC)c(-c2nncnc2N)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine?
The InChIKey is FYVZXMIOZGRBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-16-7-3-4-9(17-2)8(5-7)10-11(12)13-6-14-15-10/h3-6H,1-2H3,(H2,12,13,14).
What are the key properties of 6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine?
6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine has a molecular weight of 232.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 116822972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).