3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine

C15H20BrN5 — CID 112960892

IUPAC3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1cnnc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C15H20BrN5/c1-3-8-21(9-4-2)14-11-17-20-15(19-14)18-13-7-5-6-12(16)10-13/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,18,19,20)
InChIKeySWEZIRBIAOVTBJ-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.00
Rot. Bonds7

About 3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine

3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine (PubChem CID 112960892) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
PubChem CID112960892
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC Name3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
SMILESCCCN(CCC)c1cnnc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C15H20BrN5/c1-3-8-21(9-4-2)14-11-17-20-15(19-14)18-13-7-5-6-12(16)10-13/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,18,19,20)
InChIKeySWEZIRBIAOVTBJ-UHFFFAOYSA-N
XLogP4.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(3,4-dimethoxyphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960867
3-N-(2,5-dimethylphenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960826
N-(3-bromophenyl)-5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112945917
3-N-[4-(diethylamino)-2-methylphenyl]-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960914
5-N-benzyl-3-N-(4-bromophenyl)-5-N-ethyl-1,2,4-triazine-3,5-diamine
CID 112951632
5-N-(3-bromophenyl)-3-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939838
3-N-cyclopropyl-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112939367
5-N-(3-bromophenyl)-3-N-(3,4-difluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969169
5-N,5-N-diethyl-3-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958215
3-N-(3-bromophenyl)-5-N-(2-chlorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965741
5-N-ethyl-3-N-(3-methoxyphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112964343
3-N-(3-bromophenyl)-5-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949667

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine (CID 112960892) is 3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine is CCCN(CCC)c1cnnc(Nc2cccc(Br)c2)n1.
What is the InChIKey of 3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
The InChIKey is SWEZIRBIAOVTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c1-3-8-21(9-4-2)14-11-17-20-15(19-14)18-13-7-5-6-12(16)10-13/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of 3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine?
3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine has a molecular weight of 350.26 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-bromophenyl)-5-N,5-N-dipropyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112960892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).