[5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone

C16H13Cl2N3O3 — CID 42726641

IUPAC[5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
SMILESCCCOc1nc(-c2ccc(Cl)cc2Cl)n(C(=O)c2ccco2)n1
InChIInChI=1S/C16H13Cl2N3O3/c1-2-7-24-16-19-14(11-6-5-10(17)9-12(11)18)21(20-16)15(22)13-4-3-8-23-13/h3-6,8-9H,2,7H2,1H3
InChIKeyDIZKILCNFQZQFB-UHFFFAOYSA-N
MW366.20 g/mol
LogP4.32
Rot. Bonds5

About [5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone

[5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone (PubChem CID 42726641) has the molecular formula C16H13Cl2N3O3 and a molecular weight of 366.20 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
PubChem CID42726641
Molecular FormulaC16H13Cl2N3O3
Molecular Weight366.20 g/mol
Exact Mass365.03
IUPAC Name[5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
SMILESCCCOc1nc(-c2ccc(Cl)cc2Cl)n(C(=O)c2ccco2)n1
InChIInChI=1S/C16H13Cl2N3O3/c1-2-7-24-16-19-14(11-6-5-10(17)9-12(11)18)21(20-16)15(22)13-4-3-8-23-13/h3-6,8-9H,2,7H2,1H3
InChIKeyDIZKILCNFQZQFB-UHFFFAOYSA-N
XLogP4.32
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-butoxy-5-(3-chlorophenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
CID 3512072
1-[5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-3,3-dimethylbutan-1-one
CID 42726642
1-[5-(2,4-dichlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]pentan-1-one
CID 42730165
[3-ethoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
CID 42726666
furan-2-yl-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727133
(2,4-dichlorophenyl)-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)methanone
CID 1062032
[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-(2,4-dichlorophenyl)methanone
CID 42730123
(2-chlorophenyl)-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]methanone
CID 42730398
(2-chlorophenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone
CID 42730210
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
[3,5-bis(4-chloroanilino)pyrazol-1-yl]-(furan-2-yl)methanone
CID 121238353
(2,4-dichlorophenyl)-(3-methoxy-5-phenyl-1,2,4-triazol-1-yl)methanone
CID 42727132

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone (CID 42726641) is [5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone is CCCOc1nc(-c2ccc(Cl)cc2Cl)n(C(=O)c2ccco2)n1.
What is the InChIKey of [5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone?
The InChIKey is DIZKILCNFQZQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3/c1-2-7-24-16-19-14(11-6-5-10(17)9-12(11)18)21(20-16)15(22)13-4-3-8-23-13/h3-6,8-9H,2,7H2,1H3.
What are the key properties of [5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone?
[5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone has a molecular weight of 366.20 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 42726641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).