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

C11H16N6O2 — CID 77433007

IUPAC[5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol
SMILESCC1CC(CO)OC1c1cnc2c(N)nc(N)nn12
InChIInChI=1S/C11H16N6O2/c1-5-2-6(4-18)19-8(5)7-3-14-10-9(12)15-11(13)16-17(7)10/h3,5-6,8,18H,2,4H2,1H3,(H4,12,13,15,16)
InChIKeyNOIZGWXSPARLIN-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.25
Rot. Bonds2

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

[5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol (PubChem CID 77433007) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is [5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol
PubChem CID77433007
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name[5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol
SMILESCC1CC(CO)OC1c1cnc2c(N)nc(N)nn12
InChIInChI=1S/C11H16N6O2/c1-5-2-6(4-18)19-8(5)7-3-14-10-9(12)15-11(13)16-17(7)10/h3,5-6,8,18H,2,4H2,1H3,(H4,12,13,15,16)
InChIKeyNOIZGWXSPARLIN-UHFFFAOYSA-N
XLogP-0.25
TPSA124.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
The IUPAC name of [5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol (CID 77433007) is [5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol.
What is the SMILES notation for [5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
The canonical SMILES for [5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol is CC1CC(CO)OC1c1cnc2c(N)nc(N)nn12.
What is the InChIKey of [5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
The InChIKey is NOIZGWXSPARLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-5-2-6(4-18)19-8(5)7-3-14-10-9(12)15-11(13)16-17(7)10/h3,5-6,8,18H,2,4H2,1H3,(H4,12,13,15,16).
What are the key properties of [5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol?
[5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol has a molecular weight of 264.29 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-diaminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-methyloxolan-2-yl]methanol is sourced from PubChem (CID 77433007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).