7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine

C18H20N4O2 — CID 25059452

IUPAC7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine
SMILESCCCCOc1cc2nnnc(Nc3ccccc3)c2cc1OC
InChIInChI=1S/C18H20N4O2/c1-3-4-10-24-17-12-15-14(11-16(17)23-2)18(21-22-20-15)19-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,20,21)
InChIKeyKCJMRQOWFGLFAP-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.96
Rot. Bonds7

About 7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine

7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine (PubChem CID 25059452) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine.

Molecular Properties

Compound Name7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine
PubChem CID25059452
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine
SMILESCCCCOc1cc2nnnc(Nc3ccccc3)c2cc1OC
InChIInChI=1S/C18H20N4O2/c1-3-4-10-24-17-12-15-14(11-16(17)23-2)18(21-22-20-15)19-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,20,21)
InChIKeyKCJMRQOWFGLFAP-UHFFFAOYSA-N
XLogP3.96
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine?
The IUPAC name of 7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine (CID 25059452) is 7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine.
What is the SMILES notation for 7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine?
The canonical SMILES for 7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine is CCCCOc1cc2nnnc(Nc3ccccc3)c2cc1OC.
What is the InChIKey of 7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine?
The InChIKey is KCJMRQOWFGLFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-4-10-24-17-12-15-14(11-16(17)23-2)18(21-22-20-15)19-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,20,21).
What are the key properties of 7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine?
7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine has a molecular weight of 324.38 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine is sourced from PubChem (CID 25059452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).