N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C16H17ClN6O — CID 23910144

IUPACN-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1Cl
InChIInChI=1S/C16H17ClN6O/c1-10-5-6-11(9-12(10)17)18-15-16(23-7-3-2-4-8-23)20-14-13(19-15)21-24-22-14/h5-6,9H,2-4,7-8H2,1H3,(H,18,19,21)
InChIKeyQNJDRAFDFLRSGO-UHFFFAOYSA-N
MW344.81 g/mol
LogP3.71
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 23910144) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID23910144
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC NameN-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1Cl
InChIInChI=1S/C16H17ClN6O/c1-10-5-6-11(9-12(10)17)18-15-16(23-7-3-2-4-8-23)20-14-13(19-15)21-24-22-14/h5-6,9H,2-4,7-8H2,1H3,(H,18,19,21)
InChIKeyQNJDRAFDFLRSGO-UHFFFAOYSA-N
XLogP3.71
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(azepan-1-yl)-N-(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 543252
5-(azepan-1-yl)-N-(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 23932743
5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 56695489
5-N,6-N-bis(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3094576
5-N-(3-chloro-4-methylphenyl)-6-N-(furan-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1124708
N-(3-chloro-4-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910263
N-(2-iodophenyl)-5-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 543547
N-(4-fluorophenyl)-5-(4-methylpiperazin-4-ium-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 4523400
N-(3-chloro-4-methylphenyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942109
N-(1,3-benzodioxol-5-yl)-5-(3,5-dimethylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 4207312
5-N-(3-chloro-4-methylphenyl)-3-N-(4-piperidin-1-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966522
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 23910144) is N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is Cc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is QNJDRAFDFLRSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-10-5-6-11(9-12(10)17)18-15-16(23-7-3-2-4-8-23)20-14-13(19-15)21-24-22-14/h5-6,9H,2-4,7-8H2,1H3,(H,18,19,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 344.81 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 23910144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).