5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol

C16H22ClN5O2 — CID 176688856

IUPAC5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
SMILESNc1ncc2c(Cl)nc(C3CC4(CC4)C3)n2n1.OC1CCCOC1
InChIInChI=1S/C11H12ClN5.C5H10O2/c12-8-7-5-14-10(13)16-17(7)9(15-8)6-3-11(4-6)1-2-11;6-5-2-1-3-7-4-5/h5-6H,1-4H2,(H2,13,16);5-6H,1-4H2
InChIKeyMOCIYYJDJSGUQH-UHFFFAOYSA-N
MW351.84 g/mol
LogP2.18
Rot. Bonds1

About 5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol

5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol (PubChem CID 176688856) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
PubChem CID176688856
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC Name5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
SMILESNc1ncc2c(Cl)nc(C3CC4(CC4)C3)n2n1.OC1CCCOC1
InChIInChI=1S/C11H12ClN5.C5H10O2/c12-8-7-5-14-10(13)16-17(7)9(15-8)6-3-11(4-6)1-2-11;6-5-2-1-3-7-4-5/h5-6H,1-4H2,(H2,13,16);5-6H,1-4H2
InChIKeyMOCIYYJDJSGUQH-UHFFFAOYSA-N
XLogP2.18
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688923
5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688929
5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688767
6-bromo-7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117443
6-bromo-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117628
7-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117498
7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169116968
6-bromo-5-fluoro-7-(1,1,1-trifluoropropan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117736
7-[2,6-difluoro-4-(1-methylcyclopropyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117739
2-amino-5-chloro-7-(3,3-difluorobutan-2-yl)pyrrolo[2,1-f][1,2,4]triazine-6-carbonitrile;oxan-3-ol
CID 169117548
5-fluoro-7-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117104
7-(4-tert-butyl-2-fluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117261

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The IUPAC name of 5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol (CID 176688856) is 5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol.
What is the SMILES notation for 5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The canonical SMILES for 5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol is Nc1ncc2c(Cl)nc(C3CC4(CC4)C3)n2n1.OC1CCCOC1.
What is the InChIKey of 5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The InChIKey is MOCIYYJDJSGUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5.C5H10O2/c12-8-7-5-14-10(13)16-17(7)9(15-8)6-3-11(4-6)1-2-11;6-5-2-1-3-7-4-5/h5-6H,1-4H2,(H2,13,16);5-6H,1-4H2.
What are the key properties of 5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol has a molecular weight of 351.84 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol is sourced from PubChem (CID 176688856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).