N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C16H17ClN6O — CID 2869129

IUPACN-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCC1CCCN(c2nc3nonc3nc2Nc2cccc(Cl)c2)C1
InChIInChI=1S/C16H17ClN6O/c1-10-4-3-7-23(9-10)16-15(18-12-6-2-5-11(17)8-12)19-13-14(20-16)22-24-21-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,18,19,21)
InChIKeyPJQXTCJGDMAUOV-UHFFFAOYSA-N
MW344.81 g/mol
LogP3.65
Rot. Bonds3

About N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 2869129) has the molecular formula C16H17ClN6O and a molecular weight of 344.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID2869129
Molecular FormulaC16H17ClN6O
Molecular Weight344.81 g/mol
Exact Mass344.12
IUPAC NameN-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCC1CCCN(c2nc3nonc3nc2Nc2cccc(Cl)c2)C1
InChIInChI=1S/C16H17ClN6O/c1-10-4-3-7-23(9-10)16-15(18-12-6-2-5-11(17)8-12)19-13-14(20-16)22-24-21-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,18,19,21)
InChIKeyPJQXTCJGDMAUOV-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 2869129) is N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is CC1CCCN(c2nc3nonc3nc2Nc2cccc(Cl)c2)C1.
What is the InChIKey of N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is PJQXTCJGDMAUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O/c1-10-4-3-7-23(9-10)16-15(18-12-6-2-5-11(17)8-12)19-13-14(20-16)22-24-21-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,18,19,21).
What are the key properties of N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 344.81 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 2869129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).