N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C21H23N5O2 — CID 20880428

IUPACN-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCCCCNc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C21H23N5O2/c1-4-5-11-22-21-23-16-13-18(28-3)17(27-2)12-15(16)20-24-19(25-26(20)21)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H,22,23)
InChIKeyKTVMSQJHEYORNS-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.17
Rot. Bonds7

About N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 20880428) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID20880428
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCCCCNc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn12
InChIInChI=1S/C21H23N5O2/c1-4-5-11-22-21-23-16-13-18(28-3)17(27-2)12-15(16)20-24-19(25-26(20)21)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H,22,23)
InChIKeyKTVMSQJHEYORNS-UHFFFAOYSA-N
XLogP4.17
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 20880428) is N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is CCCCNc1nc2cc(OC)c(OC)cc2c2nc(-c3ccccc3)nn12.
What is the InChIKey of N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is KTVMSQJHEYORNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-4-5-11-22-21-23-16-13-18(28-3)17(27-2)12-15(16)20-24-19(25-26(20)21)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H,22,23).
What are the key properties of N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 377.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 20880428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).