5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine

C10H8Cl2N4O — CID 96667856

IUPAC5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1c(Cl)cc(Cl)cc1-c1cnnc(N)n1
InChIInChI=1S/C10H8Cl2N4O/c1-17-9-6(2-5(11)3-7(9)12)8-4-14-16-10(13)15-8/h2-4H,1H3,(H2,13,15,16)
InChIKeyHDQZUPIDVYFVEK-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.44
Rot. Bonds2

About 5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine

5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 96667856) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID96667856
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1c(Cl)cc(Cl)cc1-c1cnnc(N)n1
InChIInChI=1S/C10H8Cl2N4O/c1-17-9-6(2-5(11)3-7(9)12)8-4-14-16-10(13)15-8/h2-4H,1H3,(H2,13,15,16)
InChIKeyHDQZUPIDVYFVEK-UHFFFAOYSA-N
XLogP2.44
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine (CID 96667856) is 5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine is COc1c(Cl)cc(Cl)cc1-c1cnnc(N)n1.
What is the InChIKey of 5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is HDQZUPIDVYFVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c1-17-9-6(2-5(11)3-7(9)12)8-4-14-16-10(13)15-8/h2-4H,1H3,(H2,13,15,16).
What are the key properties of 5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine?
5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 271.11 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 96667856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).