5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine

C15H21ClFN5O — CID 176688943

IUPAC5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCC(c1nc(Cl)c2cnc(NC3CCOCC3)nn12)C(C)(C)F
InChIInChI=1S/C15H21ClFN5O/c1-9(15(2,3)17)13-20-12(16)11-8-18-14(21-22(11)13)19-10-4-6-23-7-5-10/h8-10H,4-7H2,1-3H3,(H,19,21)
InChIKeyYTTAONPTDSDXJJ-UHFFFAOYSA-N
MW341.82 g/mol
LogP3.22
Rot. Bonds4

About 5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine

5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 176688943) has the molecular formula C15H21ClFN5O and a molecular weight of 341.82 g/mol. Its IUPAC name is 5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID176688943
Molecular FormulaC15H21ClFN5O
Molecular Weight341.82 g/mol
Exact Mass341.14
IUPAC Name5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCC(c1nc(Cl)c2cnc(NC3CCOCC3)nn12)C(C)(C)F
InChIInChI=1S/C15H21ClFN5O/c1-9(15(2,3)17)13-20-12(16)11-8-18-14(21-22(11)13)19-10-4-6-23-7-5-10/h8-10H,4-7H2,1-3H3,(H,19,21)
InChIKeyYTTAONPTDSDXJJ-UHFFFAOYSA-N
XLogP3.22
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688832
7-(1-bicyclo[1.1.1]pentanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688912
7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688864
5-chloro-N-[(3S,4S)-3-fluorooxan-4-yl]-7-(3-methylbutan-2-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688837
4-tert-butyl-5-chloro-N-(oxan-4-yl)pyrimidin-2-amine
CID 158554161
5-chloro-7-(4-chlorophenyl)-N-[(3S,4S)-3-fluorooxan-4-yl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688868
(3S,4R)-4-[[5-fluoro-7-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol
CID 169117997
[(3S,4R)-4-[[5-fluoro-7-(3-fluoro-3-methylbutan-2-yl)-6-iodopyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-yl] acetate
CID 169117141
4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62868886
2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178088
(3S,4R)-4-[[6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol
CID 169118013
5-tert-butyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 169018423

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine (CID 176688943) is 5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine is CC(c1nc(Cl)c2cnc(NC3CCOCC3)nn12)C(C)(C)F.
What is the InChIKey of 5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is YTTAONPTDSDXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN5O/c1-9(15(2,3)17)13-20-12(16)11-8-18-14(21-22(11)13)19-10-4-6-23-7-5-10/h8-10H,4-7H2,1-3H3,(H,19,21).
What are the key properties of 5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 341.82 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(3-fluoro-3-methylbutan-2-yl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 176688943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).