5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine

C12H13Cl2N5 — CID 112938670

IUPAC5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1nncc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H13Cl2N5/c1-2-5-15-12-18-11(7-16-19-12)17-8-3-4-9(13)10(14)6-8/h3-4,6-7H,2,5H2,1H3,(H2,15,17,18,19)
InChIKeyLPSSTVPDMFQIAD-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.74
Rot. Bonds5

About 5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine

5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine (PubChem CID 112938670) has the molecular formula C12H13Cl2N5 and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
PubChem CID112938670
Molecular FormulaC12H13Cl2N5
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
SMILESCCCNc1nncc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C12H13Cl2N5/c1-2-5-15-12-18-11(7-16-19-12)17-8-3-4-9(13)10(14)6-8/h3-4,6-7H,2,5H2,1H3,(H2,15,17,18,19)
InChIKeyLPSSTVPDMFQIAD-UHFFFAOYSA-N
XLogP3.74
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3,4-dichlorophenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954536
3-N-propyl-5-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112938631
5-N-(3-chloro-4-methylphenyl)-3-N-[(4-chlorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950677
5-N-(3,4-dichlorophenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963281
3-N-butan-2-yl-5-N-(3-chloro-4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112940963
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906
3-N-(3,4-dichlorophenyl)-5-N-[3-(dimethylamino)propyl]-1,2,4-triazine-3,5-diamine
CID 112945576
5-N-(3-chloro-4-methylphenyl)-3-N-(4-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112966072
N-[4-[[3-(butylamino)-1,2,4-triazin-5-yl]amino]phenyl]acetamide
CID 112940211
3-N-[(2-chlorophenyl)methyl]-5-N-(3,4-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112950381
5-N-(3-chloro-4-methylphenyl)-3-N-(3,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963577
3-N-(3,4-difluorophenyl)-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938487

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine (CID 112938670) is 5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine is CCCNc1nncc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
The InChIKey is LPSSTVPDMFQIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5/c1-2-5-15-12-18-11(7-16-19-12)17-8-3-4-9(13)10(14)6-8/h3-4,6-7H,2,5H2,1H3,(H2,15,17,18,19).
What are the key properties of 5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine?
5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine has a molecular weight of 298.18 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112938670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).