3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine

C15H10ClN7O — CID 7185189

IUPAC3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESNc1c(-c2nc(-c3cccnc3)no2)nnn1-c1ccccc1Cl
InChIInChI=1S/C15H10ClN7O/c16-10-5-1-2-6-11(10)23-13(17)12(20-22-23)15-19-14(21-24-15)9-4-3-7-18-8-9/h1-8H,17H2
InChIKeyQDPMKZGCVTYTDG-UHFFFAOYSA-N
MW339.75 g/mol
LogP2.61
Rot. Bonds3

About 3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine

3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (PubChem CID 7185189) has the molecular formula C15H10ClN7O and a molecular weight of 339.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
PubChem CID7185189
Molecular FormulaC15H10ClN7O
Molecular Weight339.75 g/mol
Exact Mass339.06
IUPAC Name3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESNc1c(-c2nc(-c3cccnc3)no2)nnn1-c1ccccc1Cl
InChIInChI=1S/C15H10ClN7O/c16-10-5-1-2-6-11(10)23-13(17)12(20-22-23)15-19-14(21-24-15)9-4-3-7-18-8-9/h1-8H,17H2
InChIKeyQDPMKZGCVTYTDG-UHFFFAOYSA-N
XLogP2.61
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904364
3-(3-chloro-2-methylphenyl)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 18591826
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 104742909
2-(5-amino-4-pyridin-3-yltriazol-1-yl)phenol
CID 82370618
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63260210
3-(2-chlorophenyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 2031229
3-(3-chloro-4-fluorophenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904400
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 20904427
5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 59758751
3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 94943137
5-(2,4-dichlorophenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 699599
5-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-(2-fluorophenyl)triazol-4-amine
CID 7184943

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The IUPAC name of 3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine (CID 7185189) is 3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The canonical SMILES for 3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is Nc1c(-c2nc(-c3cccnc3)no2)nnn1-c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The InChIKey is QDPMKZGCVTYTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN7O/c16-10-5-1-2-6-11(10)23-13(17)12(20-22-23)15-19-14(21-24-15)9-4-3-7-18-8-9/h1-8H,17H2.
What are the key properties of 3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine has a molecular weight of 339.75 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine is sourced from PubChem (CID 7185189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).