5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol

C15H20ClF2N5O2 — CID 176688923

IUPAC5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
SMILESNc1ncc2c(Cl)nc(C3CCC(F)(F)C3)n2n1.OC1CCCOC1
InChIInChI=1S/C10H10ClF2N5.C5H10O2/c11-7-6-4-15-9(14)17-18(6)8(16-7)5-1-2-10(12,13)3-5;6-5-2-1-3-7-4-5/h4-5H,1-3H2,(H2,14,17);5-6H,1-4H2
InChIKeyOLMZHZGKEHRPOK-UHFFFAOYSA-N
MW375.81 g/mol
LogP2.42
Rot. Bonds1

About 5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol

5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol (PubChem CID 176688923) has the molecular formula C15H20ClF2N5O2 and a molecular weight of 375.81 g/mol. Its IUPAC name is 5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol.

Molecular Properties

Compound Name5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
PubChem CID176688923
Molecular FormulaC15H20ClF2N5O2
Molecular Weight375.81 g/mol
Exact Mass375.13
IUPAC Name5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
SMILESNc1ncc2c(Cl)nc(C3CCC(F)(F)C3)n2n1.OC1CCCOC1
InChIInChI=1S/C10H10ClF2N5.C5H10O2/c11-7-6-4-15-9(14)17-18(6)8(16-7)5-1-2-10(12,13)3-5;6-5-2-1-3-7-4-5/h4-5H,1-3H2,(H2,14,17);5-6H,1-4H2
InChIKeyOLMZHZGKEHRPOK-UHFFFAOYSA-N
XLogP2.42
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-7-spiro[2.3]hexan-5-ylimidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688856
5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688929
6-bromo-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117628
6-bromo-7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117443
5-chloro-7-(3,3-dimethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688767
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
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
7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169116968
7-[2,6-difluoro-4-(1-methylcyclopropyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117739
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
5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117432

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The IUPAC name of 5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol (CID 176688923) is 5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol.
What is the SMILES notation for 5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The canonical SMILES for 5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol is Nc1ncc2c(Cl)nc(C3CCC(F)(F)C3)n2n1.OC1CCCOC1.
What is the InChIKey of 5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
The InChIKey is OLMZHZGKEHRPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N5.C5H10O2/c11-7-6-4-15-9(14)17-18(6)8(16-7)5-1-2-10(12,13)3-5;6-5-2-1-3-7-4-5/h4-5H,1-3H2,(H2,14,17);5-6H,1-4H2.
What are the key properties of 5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol?
5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol has a molecular weight of 375.81 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(3,3-difluorocyclopentyl)imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol is sourced from PubChem (CID 176688923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).