(2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol

C12H18FN5O3 — CID 66828131

IUPAC(2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol
SMILESCC(O[C@H](CO)[C@@H](O)C(C)F)c1cnc2c(N)ncnn12
InChIInChI=1S/C12H18FN5O3/c1-6(13)10(20)9(4-19)21-7(2)8-3-15-12-11(14)16-5-17-18(8)12/h3,5-7,9-10,19-20H,4H2,1-2H3,(H2,14,16,17)/t6?,7?,9-,10+/m1/s1
InChIKeyRZUYUOPAUKOGPS-IJMQIQAESA-N
MW299.31 g/mol
LogP-0.14
Rot. Bonds6

About (2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol

(2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol (PubChem CID 66828131) has the molecular formula C12H18FN5O3 and a molecular weight of 299.31 g/mol. Its IUPAC name is (2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol
PubChem CID66828131
Molecular FormulaC12H18FN5O3
Molecular Weight299.31 g/mol
Exact Mass299.14
IUPAC Name(2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol
SMILESCC(O[C@H](CO)[C@@H](O)C(C)F)c1cnc2c(N)ncnn12
InChIInChI=1S/C12H18FN5O3/c1-6(13)10(20)9(4-19)21-7(2)8-3-15-12-11(14)16-5-17-18(8)12/h3,5-7,9-10,19-20H,4H2,1-2H3,(H2,14,16,17)/t6?,7?,9-,10+/m1/s1
InChIKeyRZUYUOPAUKOGPS-IJMQIQAESA-N
XLogP-0.14
TPSA118.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol?
The IUPAC name of (2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol (CID 66828131) is (2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol.
What is the SMILES notation for (2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol?
The canonical SMILES for (2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol is CC(O[C@H](CO)[C@@H](O)C(C)F)c1cnc2c(N)ncnn12.
What is the InChIKey of (2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol?
The InChIKey is RZUYUOPAUKOGPS-IJMQIQAESA-N. The full InChI is InChI=1S/C12H18FN5O3/c1-6(13)10(20)9(4-19)21-7(2)8-3-15-12-11(14)16-5-17-18(8)12/h3,5-7,9-10,19-20H,4H2,1-2H3,(H2,14,16,17)/t6?,7?,9-,10+/m1/s1.
What are the key properties of (2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol?
(2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol has a molecular weight of 299.31 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)ethoxy]-4-fluoropentane-1,3-diol is sourced from PubChem (CID 66828131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).