3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine

C19H20ClN5O — CID 112966974

IUPAC3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(c1cccc(C)c1)c1cnnc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C19H20ClN5O/c1-4-25(15-7-5-6-13(2)10-15)18-12-21-24-19(23-18)22-16-11-14(20)8-9-17(16)26-3/h5-12H,4H2,1-3H3,(H,22,23,24)
InChIKeyLXOLKRABBGNFPQ-UHFFFAOYSA-N
MW369.86 g/mol
LogP4.74
Rot. Bonds6

About 3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine

3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112966974) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112966974
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(c1cccc(C)c1)c1cnnc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C19H20ClN5O/c1-4-25(15-7-5-6-13(2)10-15)18-12-21-24-19(23-18)22-16-11-14(20)8-9-17(16)26-3/h5-12H,4H2,1-3H3,(H,22,23,24)
InChIKeyLXOLKRABBGNFPQ-UHFFFAOYSA-N
XLogP4.74
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine with MolForge

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Related Compounds

3-N-(4-chloro-2,5-dimethoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969630
5-N-ethyl-3-N-(4-methoxyphenyl)-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967453
3-N-(5-chloro-2-methoxyphenyl)-5-N-methyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112962390
3-N-(2-ethoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967560
5-N-ethyl-5-N-(3-methylphenyl)-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962353
5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112954108
2-N-(2,5-dimethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112905325
methyl 4-[[5-(N-ethyl-3-methylanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112968768
6-N-(5-chloro-2-methoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539256
5-N-ethyl-5-N-(3-methylphenyl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940647
5-N-(5-chloro-2-methoxyphenyl)-3-N-(5-chloro-2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966324
3-N-[4-chloro-2-(trifluoromethyl)phenyl]-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112964389

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112966974) is 3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine is CCN(c1cccc(C)c1)c1cnnc(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is LXOLKRABBGNFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-4-25(15-7-5-6-13(2)10-15)18-12-21-24-19(23-18)22-16-11-14(20)8-9-17(16)26-3/h5-12H,4H2,1-3H3,(H,22,23,24).
What are the key properties of 3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 369.86 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112966974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).