6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine

C12H13ClN4O — CID 116823171

IUPAC6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCCOc1ccc(-c2nncnc2NC)cc1Cl
InChIInChI=1S/C12H13ClN4O/c1-3-18-10-5-4-8(6-9(10)13)11-12(14-2)15-7-16-17-11/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyALTYWNQYYMADLW-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.63
Rot. Bonds4

About 6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine

6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine (PubChem CID 116823171) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine
PubChem CID116823171
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCCOc1ccc(-c2nncnc2NC)cc1Cl
InChIInChI=1S/C12H13ClN4O/c1-3-18-10-5-4-8(6-9(10)13)11-12(14-2)15-7-16-17-11/h4-7H,3H2,1-2H3,(H,14,15,16)
InChIKeyALTYWNQYYMADLW-UHFFFAOYSA-N
XLogP2.63
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(4-methylphenyl)-1,2,4-triazin-5-amine
CID 116823117
N-methyl-6-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 116823140
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
6-(4-fluorophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823124
4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
CID 24902174
3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine
CID 96667491
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
4-(3-chloro-4-ethoxyphenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831819
5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole
CID 116883702
1-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947925
6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide
CID 176957189

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine (CID 116823171) is 6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine is CCOc1ccc(-c2nncnc2NC)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is ALTYWNQYYMADLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-3-18-10-5-4-8(6-9(10)13)11-12(14-2)15-7-16-17-11/h4-7H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine?
6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 264.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).