3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine

C18H19N5O3 — CID 112967203

IUPAC3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1cccc(Nc2cnnc(Nc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C18H19N5O3/c1-24-14-6-4-5-12(9-14)20-17-11-19-23-18(22-17)21-13-7-8-15(25-2)16(10-13)26-3/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyDMKNMCAOZNRRNR-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.38
Rot. Bonds7

About 3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine

3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112967203) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112967203
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1cccc(Nc2cnnc(Nc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C18H19N5O3/c1-24-14-6-4-5-12(9-14)20-17-11-19-23-18(22-17)21-13-7-8-15(25-2)16(10-13)26-3/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyDMKNMCAOZNRRNR-UHFFFAOYSA-N
XLogP3.38
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-(3,4-dimethoxyphenyl)-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967269
3-N-(3,4-dimethoxyphenyl)-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967069
5-N-(4-ethylphenyl)-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964173
3-N-[4-(dimethylamino)phenyl]-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967216
5-N-[(3,4-dimethoxyphenyl)methyl]-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112956351
5-N-(3,4-dimethoxyphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963593
3-N-(3-methoxyphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967266
3-N-(4-ethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967197
5-N-[4-(diethylamino)phenyl]-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967283
5-N-(3,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961889
5-N-(3-chloro-4-methoxyphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961665
3-N-(3-chloro-4-methoxyphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112961559

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine (CID 112967203) is 3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine is COc1cccc(Nc2cnnc(Nc3ccc(OC)c(OC)c3)n2)c1.
What is the InChIKey of 3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is DMKNMCAOZNRRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-24-14-6-4-5-12(9-14)20-17-11-19-23-18(22-17)21-13-7-8-15(25-2)16(10-13)26-3/h4-11H,1-3H3,(H2,20,21,22,23).
What are the key properties of 3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine?
3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 353.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112967203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).