5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine

C13H10Cl2N6 — CID 61353056

IUPAC5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2nnnn2-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2N6/c14-8-1-2-12(11(15)5-8)21-13(18-19-20-21)7-3-9(16)6-10(17)4-7/h1-6H,16-17H2
InChIKeyXVOIHXLSTQAFRL-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.80
Rot. Bonds2

About 5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine

5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine (PubChem CID 61353056) has the molecular formula C13H10Cl2N6 and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine
PubChem CID61353056
Molecular FormulaC13H10Cl2N6
Molecular Weight321.17 g/mol
Exact Mass320.03
IUPAC Name5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2nnnn2-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H10Cl2N6/c14-8-1-2-12(11(15)5-8)21-13(18-19-20-21)7-3-9(16)6-10(17)4-7/h1-6H,16-17H2
InChIKeyXVOIHXLSTQAFRL-UHFFFAOYSA-N
XLogP2.80
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine?
The IUPAC name of 5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine (CID 61353056) is 5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine.
What is the SMILES notation for 5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine?
The canonical SMILES for 5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine is Nc1cc(N)cc(-c2nnnn2-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine?
The InChIKey is XVOIHXLSTQAFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N6/c14-8-1-2-12(11(15)5-8)21-13(18-19-20-21)7-3-9(16)6-10(17)4-7/h1-6H,16-17H2.
What are the key properties of 5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine?
5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine has a molecular weight of 321.17 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-dichlorophenyl)tetrazol-5-yl]benzene-1,3-diamine is sourced from PubChem (CID 61353056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).