azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

C14H16Cl2N6O — CID 68981435

IUPACazane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCC(C)Cc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1.N
InChIInChI=1S/C14H13Cl2N5O.H3N/c1-7(2)5-11-12(19-14-13(18-11)20-22-21-14)17-8-3-4-9(15)10(16)6-8;/h3-4,6-7H,5H2,1-2H3,(H,17,19,21);1H3
InChIKeySQHHZULUPOYMNE-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.42
Rot. Bonds4

About azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (PubChem CID 68981435) has the molecular formula C14H16Cl2N6O and a molecular weight of 355.23 g/mol. Its IUPAC name is azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Nameazane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
PubChem CID68981435
Molecular FormulaC14H16Cl2N6O
Molecular Weight355.23 g/mol
Exact Mass354.08
IUPAC Nameazane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCC(C)Cc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1.N
InChIInChI=1S/C14H13Cl2N5O.H3N/c1-7(2)5-11-12(19-14-13(18-11)20-22-21-14)17-8-3-4-9(15)10(16)6-8;/h3-4,6-7H,5H2,1-2H3,(H,17,19,21);1H3
InChIKeySQHHZULUPOYMNE-UHFFFAOYSA-N
XLogP4.42
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (CID 68981435) is azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is CC(C)Cc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1.N.
What is the InChIKey of azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The InChIKey is SQHHZULUPOYMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O.H3N/c1-7(2)5-11-12(19-14-13(18-11)20-22-21-14)17-8-3-4-9(15)10(16)6-8;/h3-4,6-7H,5H2,1-2H3,(H,17,19,21);1H3.
What are the key properties of azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine has a molecular weight of 355.23 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 68981435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).