2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C24H21N7O — CID 118124145

IUPAC2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cncc(-c2nc(NCCOc3cnccn3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/C24H21N7O/c1-17-13-19(15-26-14-17)23-29-24(28-10-12-32-21-16-25-8-9-27-21)22-20(7-11-31(22)30-23)18-5-3-2-4-6-18/h2-9,11,13-16H,10,12H2,1H3,(H,28,29,30)
InChIKeyNZRIPWCBQOXQDO-UHFFFAOYSA-N
MW423.48 g/mol
LogP4.05
Rot. Bonds7

About 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118124145) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118124145
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cncc(-c2nc(NCCOc3cnccn3)c3c(-c4ccccc4)ccn3n2)c1
InChIInChI=1S/C24H21N7O/c1-17-13-19(15-26-14-17)23-29-24(28-10-12-32-21-16-25-8-9-27-21)22-20(7-11-31(22)30-23)18-5-3-2-4-6-18/h2-9,11,13-16H,10,12H2,1H3,(H,28,29,30)
InChIKeyNZRIPWCBQOXQDO-UHFFFAOYSA-N
XLogP4.05
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118124145) is 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cncc(-c2nc(NCCOc3cnccn3)c3c(-c4ccccc4)ccn3n2)c1.
What is the InChIKey of 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is NZRIPWCBQOXQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-17-13-19(15-26-14-17)23-29-24(28-10-12-32-21-16-25-8-9-27-21)22-20(7-11-31(22)30-23)18-5-3-2-4-6-18/h2-9,11,13-16H,10,12H2,1H3,(H,28,29,30).
What are the key properties of 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 423.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-pyridinyl)-5-phenyl-N-(2-pyrazin-2-yloxyethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118124145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).