6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine

C15H12ClN5 — CID 121410399

IUPAC6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cccc(-c3ccc(Cl)cc3)c2)c(N)n1
InChIInChI=1S/C15H12ClN5/c16-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13-14(17)19-15(18)21-20-13/h1-8H,(H4,17,18,19,21)
InChIKeyHIEPZLXEPHXIHP-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.02
Rot. Bonds2

About 6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine

6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine (PubChem CID 121410399) has the molecular formula C15H12ClN5 and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine
PubChem CID121410399
Molecular FormulaC15H12ClN5
Molecular Weight297.75 g/mol
Exact Mass297.08
IUPAC Name6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine
SMILESNc1nnc(-c2cccc(-c3ccc(Cl)cc3)c2)c(N)n1
InChIInChI=1S/C15H12ClN5/c16-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13-14(17)19-15(18)21-20-13/h1-8H,(H4,17,18,19,21)
InChIKeyHIEPZLXEPHXIHP-UHFFFAOYSA-N
XLogP3.02
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,5-dichlorophenyl)-1,2,4-triazine-3,5-diamine
CID 3060073
2-(4-chlorophenyl)-4-phenyl-6-[4-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425266
6-(2-chloro-6-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 23311127
2-(4-chlorophenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425295
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
6-(2,2-difluoro-1,3-benzodioxol-5-yl)-1,2,4-triazine-3,5-diamine
CID 58103115
6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 6405105
6-(2,6-dichloro-5-fluoro-3-pyridinyl)-1,2,4-triazine-3,5-diamine
CID 58103120
6-(2-chloro-3-pyridinyl)-1,2,4-triazine-3,5-diamine
CID 58103123
3-methyl-6-(3-methylphenyl)-1,2,4-triazin-5-amine
CID 116823512
6-(3,4-dichlorophenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823509
6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine
CID 58103107

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine?
The IUPAC name of 6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine (CID 121410399) is 6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine is Nc1nnc(-c2cccc(-c3ccc(Cl)cc3)c2)c(N)n1.
What is the InChIKey of 6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine?
The InChIKey is HIEPZLXEPHXIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5/c16-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13-14(17)19-15(18)21-20-13/h1-8H,(H4,17,18,19,21).
What are the key properties of 6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine?
6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine has a molecular weight of 297.75 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-chlorophenyl)phenyl]-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 121410399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).