5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine

C18H18ClN5 — CID 112950247

IUPAC5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1ccccc1Nc1nncc(NCc2ccccc2Cl)n1
InChIInChI=1S/C18H18ClN5/c1-2-13-7-4-6-10-16(13)22-18-23-17(12-21-24-18)20-11-14-8-3-5-9-15(14)19/h3-10,12H,2,11H2,1H3,(H2,20,22,23,24)
InChIKeyXMJUFBITRDZLDH-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.44
Rot. Bonds6

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

5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112950247) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is 5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112950247
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC Name5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1ccccc1Nc1nncc(NCc2ccccc2Cl)n1
InChIInChI=1S/C18H18ClN5/c1-2-13-7-4-6-10-16(13)22-18-23-17(12-21-24-18)20-11-14-8-3-5-9-15(14)19/h3-10,12H,2,11H2,1H3,(H2,20,22,23,24)
InChIKeyXMJUFBITRDZLDH-UHFFFAOYSA-N
XLogP4.44
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(2-ethylphenyl)-5-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940363
5-N-[(2-chlorophenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940485
3-N-(4-bromophenyl)-5-N-[(2-chlorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950270
5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964133
5-N-benzyl-3-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112947608
3-N-[(2-chlorophenyl)methyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950324
3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112948542
5-N-[(2-chlorophenyl)methyl]-3-N-(2-methyl-6-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950254
3-N-(2-chlorophenyl)-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112959825
5-N-[(2-chlorophenyl)methyl]-3-N-(4-pyrrolidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950294
3-N-(2-chlorophenyl)-5-N-[(4-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949944
5-N-[(2-chlorophenyl)methyl]-3-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941638

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine (CID 112950247) is 5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine is CCc1ccccc1Nc1nncc(NCc2ccccc2Cl)n1.
What is the InChIKey of 5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is XMJUFBITRDZLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5/c1-2-13-7-4-6-10-16(13)22-18-23-17(12-21-24-18)20-11-14-8-3-5-9-15(14)19/h3-10,12H,2,11H2,1H3,(H2,20,22,23,24).
What are the key properties of 5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 339.83 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-chlorophenyl)methyl]-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112950247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).