4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline

C10H6Cl2N6O — CID 107501213

IUPAC4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
SMILESNc1cc(Cl)c(Cl)cc1Oc1cncc2nnnn12
InChIInChI=1S/C10H6Cl2N6O/c11-5-1-7(13)8(2-6(5)12)19-10-4-14-3-9-15-16-17-18(9)10/h1-4H,13H2
InChIKeyCZJQKNUMLHGQMX-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.20
Rot. Bonds2

About 4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline

4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline (PubChem CID 107501213) has the molecular formula C10H6Cl2N6O and a molecular weight of 297.11 g/mol. Its IUPAC name is 4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline.

Molecular Properties

Compound Name4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
PubChem CID107501213
Molecular FormulaC10H6Cl2N6O
Molecular Weight297.11 g/mol
Exact Mass296.00
IUPAC Name4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
SMILESNc1cc(Cl)c(Cl)cc1Oc1cncc2nnnn12
InChIInChI=1S/C10H6Cl2N6O/c11-5-1-7(13)8(2-6(5)12)19-10-4-14-3-9-15-16-17-18(9)10/h1-4H,13H2
InChIKeyCZJQKNUMLHGQMX-UHFFFAOYSA-N
XLogP2.20
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-methyl-4-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline
CID 114417709
2-amino-3-(tetrazolo[1,5-a]pyrazin-5-yloxy)phenol
CID 137013323
5-(tetrazolo[1,5-a]pyrazin-5-yloxy)quinolin-8-amine
CID 116525650
5-(4-bromo-3-methylphenoxy)tetrazolo[1,5-a]pyrazine
CID 83140613
7,8-dichlorotetrazolo[1,5-a]quinoxaline
CID 10060181
4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline
CID 107501129
4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline
CID 107501029
4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)pyridin-3-amine
CID 62111630
5-imidazol-1-yltetrazolo[1,5-a]pyrazine
CID 63811479
5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine
CID 63202766
4,5-dichloro-2-pyridin-2-yloxyaniline
CID 107501007
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
The IUPAC name of 4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline (CID 107501213) is 4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline.
What is the SMILES notation for 4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
The canonical SMILES for 4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline is Nc1cc(Cl)c(Cl)cc1Oc1cncc2nnnn12.
What is the InChIKey of 4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
The InChIKey is CZJQKNUMLHGQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N6O/c11-5-1-7(13)8(2-6(5)12)19-10-4-14-3-9-15-16-17-18(9)10/h1-4H,13H2.
What are the key properties of 4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline?
4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline has a molecular weight of 297.11 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(tetrazolo[1,5-a]pyrazin-5-yloxy)aniline is sourced from PubChem (CID 107501213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).