2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C12H10FN5 — CID 138644498

IUPAC2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCNc1nc(-c2cccc(F)n2)nn2cccc12
InChIInChI=1S/C12H10FN5/c1-14-12-9-5-3-7-18(9)17-11(16-12)8-4-2-6-10(13)15-8/h2-7H,1H3,(H,14,16,17)
InChIKeyYGJHNIGQKVPTMU-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.97
Rot. Bonds2

About 2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 138644498) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID138644498
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCNc1nc(-c2cccc(F)n2)nn2cccc12
InChIInChI=1S/C12H10FN5/c1-14-12-9-5-3-7-18(9)17-11(16-12)8-4-2-6-10(13)15-8/h2-7H,1H3,(H,14,16,17)
InChIKeyYGJHNIGQKVPTMU-UHFFFAOYSA-N
XLogP1.97
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 138644498) is 2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CNc1nc(-c2cccc(F)n2)nn2cccc12.
What is the InChIKey of 2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is YGJHNIGQKVPTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c1-14-12-9-5-3-7-18(9)17-11(16-12)8-4-2-6-10(13)15-8/h2-7H,1H3,(H,14,16,17).
What are the key properties of 2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 243.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-pyridinyl)-N-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 138644498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).