7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine

C16H16FN5 — CID 176688395

IUPAC7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCC1(c2ccc(-c3cc(F)c4cnc(N)nn34)nc2)CC1
InChIInChI=1S/C16H16FN5/c1-2-16(5-6-16)10-3-4-12(19-8-10)13-7-11(17)14-9-20-15(18)21-22(13)14/h3-4,7-9H,2,5-6H2,1H3,(H2,18,21)
InChIKeyOOBPXGLGIRYCFK-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.95
Rot. Bonds3

About 7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine

7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 176688395) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID176688395
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCC1(c2ccc(-c3cc(F)c4cnc(N)nn34)nc2)CC1
InChIInChI=1S/C16H16FN5/c1-2-16(5-6-16)10-3-4-12(19-8-10)13-7-11(17)14-9-20-15(18)21-22(13)14/h3-4,7-9H,2,5-6H2,1H3,(H2,18,21)
InChIKeyOOBPXGLGIRYCFK-UHFFFAOYSA-N
XLogP2.95
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 176688395) is 7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is CCC1(c2ccc(-c3cc(F)c4cnc(N)nn34)nc2)CC1.
What is the InChIKey of 7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is OOBPXGLGIRYCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-2-16(5-6-16)10-3-4-12(19-8-10)13-7-11(17)14-9-20-15(18)21-22(13)14/h3-4,7-9H,2,5-6H2,1H3,(H2,18,21).
What are the key properties of 7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 297.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(1-ethylcyclopropyl)-2-pyridinyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 176688395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).