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

C10H7ClN6 — CID 43827449

IUPAC2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1ncnc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C10H7ClN6/c11-7-3-1-6(2-4-7)8-15-10-14-5-13-9(12)17(10)16-8/h1-5H,(H2,12,13,14,15,16)
InChIKeyMJLHCMVGCAUDBG-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.42
Rot. Bonds1

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

2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 43827449) has the molecular formula C10H7ClN6 and a molecular weight of 246.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID43827449
Molecular FormulaC10H7ClN6
Molecular Weight246.66 g/mol
Exact Mass246.04
IUPAC Name2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1ncnc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C10H7ClN6/c11-7-3-1-6(2-4-7)8-15-10-14-5-13-9(12)17(10)16-8/h1-5H,(H2,12,13,14,15,16)
InChIKeyMJLHCMVGCAUDBG-UHFFFAOYSA-N
XLogP1.42
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-1,2,4-Triazole-1-carbothioamide, 5-amino-3-(4-chlorophenyl)-N-methyl-
CID 3074943
3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
CID 691412
1H-1,2,4-Triazole, 3-(4-chlorophenyl)-
CID 90025
5-(2-chlorophenyl)-1H-1,2,4-triazole
CID 7131177
3-(4-Chlorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1487852
4-[(2-Chlorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-amine
CID 118726301
3-(3-Chlorophenyl)-1,2,4-triazole
CID 12461545
3-(4-chlorophenyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 62585723
3-(4-Chlorophenyl)-1-methyl-5-phenyl-1,2,4-triazole
CID 13028610
3-(2,4-Dichlorophenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134135148
3-(2-Chlorophenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134143127
3-(4-Chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole
CID 155539638

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 43827449) is 2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1ncnc2nc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is MJLHCMVGCAUDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN6/c11-7-3-1-6(2-4-7)8-15-10-14-5-13-9(12)17(10)16-8/h1-5H,(H2,12,13,14,15,16).
What are the key properties of 2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 246.66 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 43827449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).