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

C18H19N5O2 — CID 112961888

IUPAC5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(Nc2cnnc(Nc3ccccc3C)n2)c(OC)c1
InChIInChI=1S/C18H19N5O2/c1-12-6-4-5-7-14(12)21-18-22-17(11-19-23-18)20-15-9-8-13(24-2)10-16(15)25-3/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyCVUKCJPPUMVBHT-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.68
Rot. Bonds6

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

5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112961888) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112961888
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCOc1ccc(Nc2cnnc(Nc3ccccc3C)n2)c(OC)c1
InChIInChI=1S/C18H19N5O2/c1-12-6-4-5-7-14(12)21-18-22-17(11-19-23-18)20-15-9-8-13(24-2)10-16(15)25-3/h4-11H,1-3H3,(H2,20,21,22,23)
InChIKeyCVUKCJPPUMVBHT-UHFFFAOYSA-N
XLogP3.68
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(2,4-dimethoxyphenyl)-3-N-(2,3-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963928
5-N-(2,4-dimethoxyphenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963248
3-N-(2,4-dimethoxyphenyl)-5-N-(2-methoxy-5-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967673
3-N-(2,4-dimethoxyphenyl)-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112947973
3-N-(2,4-dimethoxyphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112968061
5-N-(3,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961889
5-N-(2,4-dimethoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950973
5-N-(2,5-dimethoxyphenyl)-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967814
3-N-[(4-methoxyphenyl)methyl]-5-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951212
5-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967183
5-N-(2,4-dimethoxyphenyl)-3-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948814
3-N-cyclopentyl-5-N-(2,4-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112941745

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112961888) is 5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine is COc1ccc(Nc2cnnc(Nc3ccccc3C)n2)c(OC)c1.
What is the InChIKey of 5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is CVUKCJPPUMVBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-6-4-5-7-14(12)21-18-22-17(11-19-23-18)20-15-9-8-13(24-2)10-16(15)25-3/h4-11H,1-3H3,(H2,20,21,22,23).
What are the key properties of 5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 337.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112961888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).