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

C17H24ClN5O — CID 176688832

IUPAC5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCC(c1nc(Cl)c2cnc(NC3CCOCC3)nn12)C1CCCC1
InChIInChI=1S/C17H24ClN5O/c1-11(12-4-2-3-5-12)16-21-15(18)14-10-19-17(22-23(14)16)20-13-6-8-24-9-7-13/h10-13H,2-9H2,1H3,(H,20,22)
InChIKeyKLWMCXPOXZWLMC-UHFFFAOYSA-N
MW349.87 g/mol
LogP3.66
Rot. Bonds4

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

5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine (PubChem CID 176688832) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
PubChem CID176688832
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine
SMILESCC(c1nc(Cl)c2cnc(NC3CCOCC3)nn12)C1CCCC1
InChIInChI=1S/C17H24ClN5O/c1-11(12-4-2-3-5-12)16-21-15(18)14-10-19-17(22-23(14)16)20-13-6-8-24-9-7-13/h10-13H,2-9H2,1H3,(H,20,22)
InChIKeyKLWMCXPOXZWLMC-UHFFFAOYSA-N
XLogP3.66
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
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
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-chloro-2-N-methyl-4-N-[1-(oxan-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114115361
5-fluoro-N-[1-(oxan-4-yl)ethyl]pyrimidin-2-amine
CID 103826213
N-(1-cyclohexylethyl)-5-iodopyrimidin-2-amine
CID 116648402

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine (CID 176688832) is 5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine is CC(c1nc(Cl)c2cnc(NC3CCOCC3)nn12)C1CCCC1.
What is the InChIKey of 5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
The InChIKey is KLWMCXPOXZWLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-11(12-4-2-3-5-12)16-21-15(18)14-10-19-17(22-23(14)16)20-13-6-8-24-9-7-13/h10-13H,2-9H2,1H3,(H,20,22).
What are the key properties of 5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine?
5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine has a molecular weight of 349.87 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(1-cyclopentylethyl)-N-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 176688832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).