3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine

C19H21N5O — CID 112950795

IUPAC3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1CNc1cnnc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C19H21N5O/c1-13-7-6-9-16(14(13)2)22-19-23-18(12-21-24-19)20-11-15-8-4-5-10-17(15)25-3/h4-10,12H,11H2,1-3H3,(H2,20,22,23,24)
InChIKeyCFUBGGMKPLAEBS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.85
Rot. Bonds6

About 3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine

3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine (PubChem CID 112950795) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
PubChem CID112950795
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
SMILESCOc1ccccc1CNc1cnnc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C19H21N5O/c1-13-7-6-9-16(14(13)2)22-19-23-18(12-21-24-19)20-11-15-8-4-5-10-17(15)25-3/h4-10,12H,11H2,1-3H3,(H2,20,22,23,24)
InChIKeyCFUBGGMKPLAEBS-UHFFFAOYSA-N
XLogP3.85
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2,3-dimethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892168
3-N-(2,4-dimethoxyphenyl)-5-N-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112947973
3-N-(2,3-dimethylphenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954371
3-N-[2-(2-methoxyphenyl)ethyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950746
3-N-(2,3-dimethylphenyl)-5-N-(pyridin-4-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952533
3-N-(2,3-dimethylphenyl)-5-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112952844
3-N-[(2-chlorophenyl)methyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950324
5-N-[(2-methoxyphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940487
5-N-(2-ethyl-6-methylphenyl)-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964508
5-N-[(2-methoxyphenyl)methyl]-3-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950801
3-N-[4-(dimethylamino)phenyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950843
3-N-(2,3-dimethylphenyl)-5-N-[2-(3-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954152

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine (CID 112950795) is 3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine is COc1ccccc1CNc1cnnc(Nc2cccc(C)c2C)n1.
What is the InChIKey of 3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is CFUBGGMKPLAEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-7-6-9-16(14(13)2)22-19-23-18(12-21-24-19)20-11-15-8-4-5-10-17(15)25-3/h4-10,12H,11H2,1-3H3,(H2,20,22,23,24).
What are the key properties of 3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine?
3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 335.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,3-dimethylphenyl)-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112950795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).