5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

C19H19Cl2N5 — CID 112959444

IUPAC5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)N(Cc1ccccc1)c1cnnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H19Cl2N5/c1-13(2)26(12-14-6-4-3-5-7-14)18-11-22-25-19(24-18)23-15-8-9-16(20)17(21)10-15/h3-11,13H,12H2,1-2H3,(H,23,24,25)
InChIKeyTWSQQILDXNJTCB-UHFFFAOYSA-N
MW388.30 g/mol
LogP5.34
Rot. Bonds6

About 5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine

5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (PubChem CID 112959444) has the molecular formula C19H19Cl2N5 and a molecular weight of 388.30 g/mol. Its IUPAC name is 5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
PubChem CID112959444
Molecular FormulaC19H19Cl2N5
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC Name5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
SMILESCC(C)N(Cc1ccccc1)c1cnnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C19H19Cl2N5/c1-13(2)26(12-14-6-4-3-5-7-14)18-11-22-25-19(24-18)23-15-8-9-16(20)17(21)10-15/h3-11,13H,12H2,1-2H3,(H,23,24,25)
InChIKeyTWSQQILDXNJTCB-UHFFFAOYSA-N
XLogP5.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-benzyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959376
5-N-benzyl-3-N-(4-methylphenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959379
5-N-benzyl-3-N-(2,6-difluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959457
5-N-benzyl-3-N-(2-fluorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959398
4-N-benzyl-2-N-(3-chloro-4-methoxyphenyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112925053
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112917025
5-N-benzyl-3-N-[(3,4-dimethoxyphenyl)methyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112956388
4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900009
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892999
3-N-(1,3-benzodioxol-5-yl)-5-N-benzyl-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949343
5-N-benzyl-3-N-methyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959380
5-N-benzyl-5-N-ethyl-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951598

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine (CID 112959444) is 5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is CC(C)N(Cc1ccccc1)c1cnnc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
The InChIKey is TWSQQILDXNJTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5/c1-13(2)26(12-14-6-4-3-5-7-14)18-11-22-25-19(24-18)23-15-8-9-16(20)17(21)10-15/h3-11,13H,12H2,1-2H3,(H,23,24,25).
What are the key properties of 5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine?
5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine has a molecular weight of 388.30 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N-(3,4-dichlorophenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112959444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).