7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine

C18H24ClN5O — CID 176688864

IUPAC7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESClc1nc(C23CCC(CC2)CC3)n2nc(NC3CCOCC3)ncc12
InChIInChI=1S/C18H24ClN5O/c19-15-14-11-20-17(21-13-4-9-25-10-5-13)23-24(14)16(22-15)18-6-1-12(2-7-18)3-8-18/h11-13H,1-10H2,(H,21,23)
InChIKeyPVTRZBKDCATEBX-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.59
Rot. Bonds3

About 7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine

7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 176688864) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID176688864
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESClc1nc(C23CCC(CC2)CC3)n2nc(NC3CCOCC3)ncc12
InChIInChI=1S/C18H24ClN5O/c19-15-14-11-20-17(21-13-4-9-25-10-5-13)23-24(14)16(22-15)18-6-1-12(2-7-18)3-8-18/h11-13H,1-10H2,(H,21,23)
InChIKeyPVTRZBKDCATEBX-UHFFFAOYSA-N
XLogP3.59
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine with MolForge

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Related Compounds

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
5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688832
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
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
5-chloro-7-(4-chlorophenyl)-N-[(3S,4S)-3-fluorooxan-4-yl]imidazo[5,1-f][1,2,4]triazin-2-amine
CID 176688868
4-tert-butyl-5-chloro-N-(oxan-4-yl)pyrimidin-2-amine
CID 158554161
4,6-dichloro-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62868886
N-(oxan-4-yl)quinazolin-2-amine
CID 114788886
6-chloro-7-cyclopentyl-5-fluoro-N-[(3S,4R)-3-fluorooxan-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170063036
(3S,4R)-4-[[5-chloro-7-(1-ethylcyclobutyl)imidazo[5,1-f][1,2,4]triazin-2-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 176688704
5-chloro-7-[1-(methylaminomethyl)cyclobutyl]imidazo[5,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 176688929
2-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 167370979

Frequently Asked Questions

What is the IUPAC name of 7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 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) is 7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine is Clc1nc(C23CCC(CC2)CC3)n2nc(NC3CCOCC3)ncc12.
What is the InChIKey of 7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is PVTRZBKDCATEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c19-15-14-11-20-17(21-13-4-9-25-10-5-13)23-24(14)16(22-15)18-6-1-12(2-7-18)3-8-18/h11-13H,1-10H2,(H,21,23).
What are the key properties of 7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 361.88 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-bicyclo[2.2.2]octanyl)-5-chloro-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 176688864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).