N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine

C20H21N5O — CID 16824683

IUPACN-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCOCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc12
InChIInChI=1S/C20H21N5O/c1-14-8-10-15(11-9-14)18-20-22-19(21-12-5-13-26-2)16-6-3-4-7-17(16)25(20)24-23-18/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,22)
InChIKeyAXHXDRWIGKUQRL-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.70
Rot. Bonds6

About N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine

N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 16824683) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID16824683
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCOCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc12
InChIInChI=1S/C20H21N5O/c1-14-8-10-15(11-9-14)18-20-22-19(21-12-5-13-26-2)16-6-3-4-7-17(16)25(20)24-23-18/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,22)
InChIKeyAXHXDRWIGKUQRL-UHFFFAOYSA-N
XLogP3.70
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]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-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine (CID 16824683) is N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine is COCCCNc1nc2c(-c3ccc(C)cc3)nnn2c2ccccc12.
What is the InChIKey of N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is AXHXDRWIGKUQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-8-10-15(11-9-14)18-20-22-19(21-12-5-13-26-2)16-6-3-4-7-17(16)25(20)24-23-18/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine?
N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 347.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 16824683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).