N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine

C20H21N5O — CID 15945462

IUPACN-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine
SMILESCCOCCCNc1nc2c(-c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C20H21N5O/c1-2-26-14-8-13-21-19-16-11-6-7-12-17(16)25-20(22-19)18(23-24-25)15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,21,22)
InChIKeyJPUUYSGXAUKBBU-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.78
Rot. Bonds7

About N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine

N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 15945462) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID15945462
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine
SMILESCCOCCCNc1nc2c(-c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C20H21N5O/c1-2-26-14-8-13-21-19-16-11-6-7-12-17(16)25-20(22-19)18(23-24-25)15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,21,22)
InChIKeyJPUUYSGXAUKBBU-UHFFFAOYSA-N
XLogP3.78
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.78
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 N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine (CID 15945462) is N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine is CCOCCCNc1nc2c(-c3ccccc3)nnn2c2ccccc12.
What is the InChIKey of N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is JPUUYSGXAUKBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-26-14-8-13-21-19-16-11-6-7-12-17(16)25-20(22-19)18(23-24-25)15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,21,22).
What are the key properties of N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine?
N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 347.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 15945462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).