1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine

C13H8Cl2N4O — CID 659930

IUPAC1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESClc1ccc(Cl)c(-c2ccc(C=Nc3ncn[nH]3)o2)c1
InChIInChI=1S/C13H8Cl2N4O/c14-8-1-3-11(15)10(5-8)12-4-2-9(20-12)6-16-13-17-7-18-19-13/h1-7H,(H,17,18,19)
InChIKeyKTELCJHOASDSAF-UHFFFAOYSA-N
MW307.14 g/mol
LogP4.12
Rot. Bonds3

About 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine

1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine (PubChem CID 659930) has the molecular formula C13H8Cl2N4O and a molecular weight of 307.14 g/mol. Its IUPAC name is 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine.

Molecular Properties

Compound Name1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine
PubChem CID659930
Molecular FormulaC13H8Cl2N4O
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC Name1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine
SMILESClc1ccc(Cl)c(-c2ccc(C=Nc3ncn[nH]3)o2)c1
InChIInChI=1S/C13H8Cl2N4O/c14-8-1-3-11(15)10(5-8)12-4-2-9(20-12)6-16-13-17-7-18-19-13/h1-7H,(H,17,18,19)
InChIKeyKTELCJHOASDSAF-UHFFFAOYSA-N
XLogP4.12
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[5-(3-nitrophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 3834790
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-4,5-dimethylfuran-3-carbonitrile
CID 126166181
3-N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3,4-diamine
CID 6142995
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
CID 616953
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]cyclopropanecarboxamide
CID 9234874
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 1390262
(Z)-1-(4-bromophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
CID 5391184
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126100606
1-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-phenylthiourea
CID 3104270
3-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-methylquinazolin-4-one
CID 9239381
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]propanedioate
CID 7430807

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine?
The IUPAC name of 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine (CID 659930) is 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine.
What is the SMILES notation for 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine?
The canonical SMILES for 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine is Clc1ccc(Cl)c(-c2ccc(C=Nc3ncn[nH]3)o2)c1.
What is the InChIKey of 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine?
The InChIKey is KTELCJHOASDSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O/c14-8-1-3-11(15)10(5-8)12-4-2-9(20-12)6-16-13-17-7-18-19-13/h1-7H,(H,17,18,19).
What are the key properties of 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine?
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine has a molecular weight of 307.14 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(1H-1,2,4-triazol-5-yl)methanimine is sourced from PubChem (CID 659930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).