7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C13H17FN4O — CID 69180081

IUPAC7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC[C@H]1OC(c2ccc3c(N)ncnn23)[C@H](F)[C@@H]1C
InChIInChI=1S/C13H17FN4O/c1-3-10-7(2)11(14)12(19-10)8-4-5-9-13(15)16-6-17-18(8)9/h4-7,10-12H,3H2,1-2H3,(H2,15,16,17)/t7-,10-,11-,12?/m1/s1
InChIKeyQICSDBKWVFBRRG-AGVQNCPFSA-N
MW264.30 g/mol
LogP2.14
Rot. Bonds2

About 7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 69180081) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID69180081
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC[C@H]1OC(c2ccc3c(N)ncnn23)[C@H](F)[C@@H]1C
InChIInChI=1S/C13H17FN4O/c1-3-10-7(2)11(14)12(19-10)8-4-5-9-13(15)16-6-17-18(8)9/h4-7,10-12H,3H2,1-2H3,(H2,15,16,17)/t7-,10-,11-,12?/m1/s1
InChIKeyQICSDBKWVFBRRG-AGVQNCPFSA-N
XLogP2.14
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 69180081) is 7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC[C@H]1OC(c2ccc3c(N)ncnn23)[C@H](F)[C@@H]1C.
What is the InChIKey of 7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is QICSDBKWVFBRRG-AGVQNCPFSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-3-10-7(2)11(14)12(19-10)8-4-5-9-13(15)16-6-17-18(8)9/h4-7,10-12H,3H2,1-2H3,(H2,15,16,17)/t7-,10-,11-,12?/m1/s1.
What are the key properties of 7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 264.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 69180081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).