6-chlorobenzo[h][1,2,4]benzotriazin-3-amine

C11H7ClN4 — CID 10681003

IUPAC6-chlorobenzo[h][1,2,4]benzotriazin-3-amine
SMILESNc1nnc2c(cc(Cl)c3ccccc32)n1
InChIInChI=1S/C11H7ClN4/c12-8-5-9-10(15-16-11(13)14-9)7-4-2-1-3-6(7)8/h1-5H,(H2,13,14,16)
InChIKeyOXOWNRMTLQYICK-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.41
Rot. Bonds

About 6-chlorobenzo[h][1,2,4]benzotriazin-3-amine

6-chlorobenzo[h][1,2,4]benzotriazin-3-amine (PubChem CID 10681003) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 6-chlorobenzo[h][1,2,4]benzotriazin-3-amine.

Molecular Properties

Compound Name6-chlorobenzo[h][1,2,4]benzotriazin-3-amine
PubChem CID10681003
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name6-chlorobenzo[h][1,2,4]benzotriazin-3-amine
SMILESNc1nnc2c(cc(Cl)c3ccccc32)n1
InChIInChI=1S/C11H7ClN4/c12-8-5-9-10(15-16-11(13)14-9)7-4-2-1-3-6(7)8/h1-5H,(H2,13,14,16)
InChIKeyOXOWNRMTLQYICK-UHFFFAOYSA-N
XLogP2.41
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chlorobenzo[h][1,2,4]benzotriazin-3-amine?
The IUPAC name of 6-chlorobenzo[h][1,2,4]benzotriazin-3-amine (CID 10681003) is 6-chlorobenzo[h][1,2,4]benzotriazin-3-amine.
What is the SMILES notation for 6-chlorobenzo[h][1,2,4]benzotriazin-3-amine?
The canonical SMILES for 6-chlorobenzo[h][1,2,4]benzotriazin-3-amine is Nc1nnc2c(cc(Cl)c3ccccc32)n1.
What is the InChIKey of 6-chlorobenzo[h][1,2,4]benzotriazin-3-amine?
The InChIKey is OXOWNRMTLQYICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-8-5-9-10(15-16-11(13)14-9)7-4-2-1-3-6(7)8/h1-5H,(H2,13,14,16).
What are the key properties of 6-chlorobenzo[h][1,2,4]benzotriazin-3-amine?
6-chlorobenzo[h][1,2,4]benzotriazin-3-amine has a molecular weight of 230.66 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorobenzo[h][1,2,4]benzotriazin-3-amine is sourced from PubChem (CID 10681003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).