N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C19H16N6O — CID 126484464

IUPACN-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=CCOc1cnccc1Nc1nc(-c2ccccn2)nn2cccc12
InChIInChI=1S/C19H16N6O/c1-2-12-26-17-13-20-10-8-14(17)22-19-16-7-5-11-25(16)24-18(23-19)15-6-3-4-9-21-15/h2-11,13H,1,12H2,(H,20,22,23,24)
InChIKeyGUBWWEPNZCJLMM-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.49
Rot. Bonds6

About N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126484464) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126484464
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESC=CCOc1cnccc1Nc1nc(-c2ccccn2)nn2cccc12
InChIInChI=1S/C19H16N6O/c1-2-12-26-17-13-20-10-8-14(17)22-19-16-7-5-11-25(16)24-18(23-19)15-6-3-4-9-21-15/h2-11,13H,1,12H2,(H,20,22,23,24)
InChIKeyGUBWWEPNZCJLMM-UHFFFAOYSA-N
XLogP3.49
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126484464) is N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is C=CCOc1cnccc1Nc1nc(-c2ccccn2)nn2cccc12.
What is the InChIKey of N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is GUBWWEPNZCJLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-2-12-26-17-13-20-10-8-14(17)22-19-16-7-5-11-25(16)24-18(23-19)15-6-3-4-9-21-15/h2-11,13H,1,12H2,(H,20,22,23,24).
What are the key properties of N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 344.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-2-enoxy-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126484464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).