6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine

C16H13ClN4O — CID 174665315

IUPAC6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccccc1-c1nc(N)nnc1-c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O/c1-22-13-8-3-2-7-12(13)15-14(20-21-16(18)19-15)10-5-4-6-11(17)9-10/h2-9H,1H3,(H2,18,19,21)
InChIKeyADSUFVUKOHNPTK-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.45
Rot. Bonds3

About 6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine

6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 174665315) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID174665315
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1ccccc1-c1nc(N)nnc1-c1cccc(Cl)c1
InChIInChI=1S/C16H13ClN4O/c1-22-13-8-3-2-7-12(13)15-14(20-21-16(18)19-15)10-5-4-6-11(17)9-10/h2-9H,1H3,(H2,18,19,21)
InChIKeyADSUFVUKOHNPTK-UHFFFAOYSA-N
XLogP3.45
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of 6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine (CID 174665315) is 6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine is COc1ccccc1-c1nc(N)nnc1-c1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is ADSUFVUKOHNPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-22-13-8-3-2-7-12(13)15-14(20-21-16(18)19-15)10-5-4-6-11(17)9-10/h2-9H,1H3,(H2,18,19,21).
What are the key properties of 6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine?
6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 312.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 174665315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).