6-chlorobenzene-1,2,4-triamine

C6H8ClN3 — CID 21330853

IUPAC6-chlorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(N)c(Cl)c1
InChIInChI=1S/C6H8ClN3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,8-10H2
InChIKeyYOTHKIOAMHRDGY-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.09
Rot. Bonds

About 6-chlorobenzene-1,2,4-triamine

6-chlorobenzene-1,2,4-triamine (PubChem CID 21330853) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 6-chlorobenzene-1,2,4-triamine.

Molecular Properties

Compound Name6-chlorobenzene-1,2,4-triamine
PubChem CID21330853
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name6-chlorobenzene-1,2,4-triamine
SMILESNc1cc(N)c(N)c(Cl)c1
InChIInChI=1S/C6H8ClN3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,8-10H2
InChIKeyYOTHKIOAMHRDGY-UHFFFAOYSA-N
XLogP1.09
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chlorobenzene-1,2,4-triamine?
The IUPAC name of 6-chlorobenzene-1,2,4-triamine (CID 21330853) is 6-chlorobenzene-1,2,4-triamine.
What is the SMILES notation for 6-chlorobenzene-1,2,4-triamine?
The canonical SMILES for 6-chlorobenzene-1,2,4-triamine is Nc1cc(N)c(N)c(Cl)c1.
What is the InChIKey of 6-chlorobenzene-1,2,4-triamine?
The InChIKey is YOTHKIOAMHRDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,8-10H2.
What are the key properties of 6-chlorobenzene-1,2,4-triamine?
6-chlorobenzene-1,2,4-triamine has a molecular weight of 157.60 g/mol, XLogP of 1.09, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorobenzene-1,2,4-triamine is sourced from PubChem (CID 21330853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).