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

C11H15N5O2 — CID 123839998

IUPAC[5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol
SMILESCC1CC(CO)OC1c1cnc2c(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)
InChIKeyMBGQCSPVFGZUNB-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.16
Rot. Bonds2

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

[5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol (PubChem CID 123839998) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol
PubChem CID123839998
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name[5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol
SMILESCC1CC(CO)OC1c1cnc2c(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)
InChIKeyMBGQCSPVFGZUNB-UHFFFAOYSA-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 [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
The IUPAC name of [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol (CID 123839998) is [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol.
What is the SMILES notation for [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
The canonical SMILES for [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol is CC1CC(CO)OC1c1cnc2c(N)ncnn12.
What is the InChIKey of [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
The InChIKey is MBGQCSPVFGZUNB-UHFFFAOYSA-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).
What are the key properties of [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
[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 [5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol is sourced from PubChem (CID 123839998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).