7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine

C16H13ClN6 — CID 135823171

IUPAC7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESNC1=NC(c2ccc(Cl)cc2)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C16H13ClN6/c17-12-8-6-11(7-9-12)14-20-15(18)21-16-19-13(22-23(14)16)10-4-2-1-3-5-10/h1-9,14H,(H3,18,19,20,21,22)
InChIKeyXSZGJGWRECBYLL-UHFFFAOYSA-N
MW324.78 g/mol
LogP2.89
Rot. Bonds2

About 7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine

7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (PubChem CID 135823171) has the molecular formula C16H13ClN6 and a molecular weight of 324.78 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
PubChem CID135823171
Molecular FormulaC16H13ClN6
Molecular Weight324.78 g/mol
Exact Mass324.09
IUPAC Name7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
SMILESNC1=NC(c2ccc(Cl)cc2)n2nc(-c3ccccc3)nc2N1
InChIInChI=1S/C16H13ClN6/c17-12-8-6-11(7-9-12)14-20-15(18)21-16-19-13(22-23(14)16)10-4-2-1-3-5-10/h1-9,14H,(H3,18,19,20,21,22)
InChIKeyXSZGJGWRECBYLL-UHFFFAOYSA-N
XLogP2.89
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine with MolForge

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Related Compounds

7-(4-fluorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
CID 135823162
2-pyridin-4-yl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
CID 135922409
(4R)-4-(4-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 901239
7-(2-fluorophenyl)-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine
CID 135922403
(7R)-7-(4-chlorophenyl)-5-methyl-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1192660
(7S)-5-(4-chlorophenyl)-7-(2-ethoxyphenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136748809
(7S)-7-(2-chlorophenyl)-2-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181531
2,5-bis(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3697282
(7S)-2-(3-chlorophenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135744409
(7R)-2-(3-chlorophenyl)-5-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135744410
(7S)-7-(4-bromophenyl)-2-(4-chlorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 1181536
(4S)-4-(2-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 941141

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The IUPAC name of 7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine (CID 135823171) is 7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine.
What is the SMILES notation for 7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The canonical SMILES for 7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is NC1=NC(c2ccc(Cl)cc2)n2nc(-c3ccccc3)nc2N1.
What is the InChIKey of 7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
The InChIKey is XSZGJGWRECBYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6/c17-12-8-6-11(7-9-12)14-20-15(18)21-16-19-13(22-23(14)16)10-4-2-1-3-5-10/h1-9,14H,(H3,18,19,20,21,22).
What are the key properties of 7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine?
7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine has a molecular weight of 324.78 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-amine is sourced from PubChem (CID 135823171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).