1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine

C12H8Cl2N6O — CID 5392571

IUPAC1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C12H8Cl2N6O/c13-9-3-1-2-8(11(9)14)10-5-4-7(21-10)6-16-20-12(15)17-18-19-20/h1-6H,(H2,15,17,19)/b16-6-
InChIKeyBXOHIGHLBBYWFQ-SOFYXZRVSA-N
MW323.14 g/mol
LogP2.70
Rot. Bonds3

About 1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine

1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine (PubChem CID 5392571) has the molecular formula C12H8Cl2N6O and a molecular weight of 323.14 g/mol. Its IUPAC name is 1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine
PubChem CID5392571
Molecular FormulaC12H8Cl2N6O
Molecular Weight323.14 g/mol
Exact Mass322.01
IUPAC Name1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine
SMILESNc1nnnn1/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C12H8Cl2N6O/c13-9-3-1-2-8(11(9)14)10-5-4-7(21-10)6-16-20-12(15)17-18-19-20/h1-6H,(H2,15,17,19)/b16-6-
InChIKeyBXOHIGHLBBYWFQ-SOFYXZRVSA-N
XLogP2.70
TPSA95.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine (CID 5392571) is 1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine is Nc1nnnn1/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine?
The InChIKey is BXOHIGHLBBYWFQ-SOFYXZRVSA-N. The full InChI is InChI=1S/C12H8Cl2N6O/c13-9-3-1-2-8(11(9)14)10-5-4-7(21-10)6-16-20-12(15)17-18-19-20/h1-6H,(H2,15,17,19)/b16-6-.
What are the key properties of 1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine?
1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine has a molecular weight of 323.14 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 5392571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).