[5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol

C13H15ClN4O — CID 137363159

IUPAC[5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol
SMILESOCC1CC2(CC2)CN1c1nc(Cl)nn2cccc12
InChIInChI=1S/C13H15ClN4O/c14-12-15-11(10-2-1-5-18(10)16-12)17-8-13(3-4-13)6-9(17)7-19/h1-2,5,9,19H,3-4,6-8H2
InChIKeyUYBSHJNJXMKCNI-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.73
Rot. Bonds2

About [5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol

[5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol (PubChem CID 137363159) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is [5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol.

Molecular Properties

Compound Name[5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol
PubChem CID137363159
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name[5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol
SMILESOCC1CC2(CC2)CN1c1nc(Cl)nn2cccc12
InChIInChI=1S/C13H15ClN4O/c14-12-15-11(10-2-1-5-18(10)16-12)17-8-13(3-4-13)6-9(17)7-19/h1-2,5,9,19H,3-4,6-8H2
InChIKeyUYBSHJNJXMKCNI-UHFFFAOYSA-N
XLogP1.73
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol?
The IUPAC name of [5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol (CID 137363159) is [5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol.
What is the SMILES notation for [5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol?
The canonical SMILES for [5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol is OCC1CC2(CC2)CN1c1nc(Cl)nn2cccc12.
What is the InChIKey of [5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol?
The InChIKey is UYBSHJNJXMKCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c14-12-15-11(10-2-1-5-18(10)16-12)17-8-13(3-4-13)6-9(17)7-19/h1-2,5,9,19H,3-4,6-8H2.
What are the key properties of [5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol?
[5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol has a molecular weight of 278.74 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol is sourced from PubChem (CID 137363159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).