[(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol

C11H15N5O2 — CID 143964090

IUPAC[(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol
SMILESCC1CC(CO)O[C@H]1c1cnc2c(N)ncnn12
InChIInChI=1S/C11H15N5O2/c1-6-2-7(4-17)18-9(6)8-3-13-11-10(12)14-5-15-16(8)11/h3,5-7,9,17H,2,4H2,1H3,(H2,12,14,15)/t6?,7?,9-/m1/s1
InChIKeyMBGQCSPVFGZUNB-QXUHLLMWSA-N
MW249.27 g/mol
LogP0.16
Rot. Bonds2

About [(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol

[(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol (PubChem CID 143964090) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol
PubChem CID143964090
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name[(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol
SMILESCC1CC(CO)O[C@H]1c1cnc2c(N)ncnn12
InChIInChI=1S/C11H15N5O2/c1-6-2-7(4-17)18-9(6)8-3-13-11-10(12)14-5-15-16(8)11/h3,5-7,9,17H,2,4H2,1H3,(H2,12,14,15)/t6?,7?,9-/m1/s1
InChIKeyMBGQCSPVFGZUNB-QXUHLLMWSA-N
XLogP0.16
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
The IUPAC name of [(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol (CID 143964090) is [(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
The canonical SMILES for [(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol is CC1CC(CO)O[C@H]1c1cnc2c(N)ncnn12.
What is the InChIKey of [(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
The InChIKey is MBGQCSPVFGZUNB-QXUHLLMWSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6-2-7(4-17)18-9(6)8-3-13-11-10(12)14-5-15-16(8)11/h3,5-7,9,17H,2,4H2,1H3,(H2,12,14,15)/t6?,7?,9-/m1/s1.
What are the key properties of [(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
[(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol has a molecular weight of 249.27 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol is sourced from PubChem (CID 143964090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).