5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C13H11ClN6O — CID 169155486

IUPAC5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESClc1cccc(Nc2nc3nonc3nc2NC2CC2)c1
InChIInChI=1S/C13H11ClN6O/c14-7-2-1-3-9(6-7)16-11-10(15-8-4-5-8)17-12-13(18-11)20-21-19-12/h1-3,6,8H,4-5H2,(H,15,17,19)(H,16,18,20)
InChIKeyBIWNFBBDBDHZRD-UHFFFAOYSA-N
MW302.73 g/mol
LogP2.98
Rot. Bonds4

About 5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 169155486) has the molecular formula C13H11ClN6O and a molecular weight of 302.73 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID169155486
Molecular FormulaC13H11ClN6O
Molecular Weight302.73 g/mol
Exact Mass302.07
IUPAC Name5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESClc1cccc(Nc2nc3nonc3nc2NC2CC2)c1
InChIInChI=1S/C13H11ClN6O/c14-7-2-1-3-9(6-7)16-11-10(15-8-4-5-8)17-12-13(18-11)20-21-19-12/h1-3,6,8H,4-5H2,(H,15,17,19)(H,16,18,20)
InChIKeyBIWNFBBDBDHZRD-UHFFFAOYSA-N
XLogP2.98
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 169155486) is 5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Clc1cccc(Nc2nc3nonc3nc2NC2CC2)c1.
What is the InChIKey of 5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is BIWNFBBDBDHZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O/c14-7-2-1-3-9(6-7)16-11-10(15-8-4-5-8)17-12-13(18-11)20-21-19-12/h1-3,6,8H,4-5H2,(H,15,17,19)(H,16,18,20).
What are the key properties of 5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 302.73 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 169155486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).