5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine

C19H24N6O — CID 44589696

IUPAC5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCc1nc(-c2ccccc2)n2nc(NCCCN3CCOCC3)ncc12
InChIInChI=1S/C19H24N6O/c1-15-17-14-21-19(20-8-5-9-24-10-12-26-13-11-24)23-25(17)18(22-15)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,20,23)
InChIKeyIFOFHKDVJCOAMH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.23
Rot. Bonds6

About 5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine

5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 44589696) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID44589696
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCc1nc(-c2ccccc2)n2nc(NCCCN3CCOCC3)ncc12
InChIInChI=1S/C19H24N6O/c1-15-17-14-21-19(20-8-5-9-24-10-12-26-13-11-24)23-25(17)18(22-15)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,20,23)
InChIKeyIFOFHKDVJCOAMH-UHFFFAOYSA-N
XLogP2.23
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine (CID 44589696) is 5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine is Cc1nc(-c2ccccc2)n2nc(NCCCN3CCOCC3)ncc12.
What is the InChIKey of 5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is IFOFHKDVJCOAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-15-17-14-21-19(20-8-5-9-24-10-12-26-13-11-24)23-25(17)18(22-15)16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13H2,1H3,(H,20,23).
What are the key properties of 5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine?
5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 352.44 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-morpholin-4-ylpropyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 44589696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).