5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine

C16H11ClN4O — CID 17128196

IUPAC5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
SMILESClc1ccc(Nc2n[nH]c(-c3cc4ccccc4o3)n2)cc1
InChIInChI=1S/C16H11ClN4O/c17-11-5-7-12(8-6-11)18-16-19-15(20-21-16)14-9-10-3-1-2-4-13(10)22-14/h1-9H,(H2,18,19,20,21)
InChIKeyHHKYOSKRFNZIOU-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.61
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine

5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 17128196) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
PubChem CID17128196
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
SMILESClc1ccc(Nc2n[nH]c(-c3cc4ccccc4o3)n2)cc1
InChIInChI=1S/C16H11ClN4O/c17-11-5-7-12(8-6-11)18-16-19-15(20-21-16)14-9-10-3-1-2-4-13(10)22-14/h1-9H,(H2,18,19,20,21)
InChIKeyHHKYOSKRFNZIOU-UHFFFAOYSA-N
XLogP4.61
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128167
N-[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]-2-(9-oxoacridin-10-yl)acetamide
CID 154840072
5-(3-butoxyphenyl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 17128189
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
CID 114732195
6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
CID 132967651
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran
CID 88836846
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]benzoic acid
CID 71563760
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
2-(1-benzofuran-2-yl)-6-chloroimidazo[1,2-a]pyridine
CID 3614378
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine (CID 17128196) is 5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine is Clc1ccc(Nc2n[nH]c(-c3cc4ccccc4o3)n2)cc1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is HHKYOSKRFNZIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c17-11-5-7-12(8-6-11)18-16-19-15(20-21-16)14-9-10-3-1-2-4-13(10)22-14/h1-9H,(H2,18,19,20,21).
What are the key properties of 5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 310.74 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-N-(4-chlorophenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 17128196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).