5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C15H17ClN6O — CID 56695489

IUPAC5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2NC(C)(C)C)cc1Cl
InChIInChI=1S/C15H17ClN6O/c1-8-5-6-9(7-10(8)16)17-11-12(20-15(2,3)4)19-14-13(18-11)21-23-22-14/h5-7H,1-4H3,(H,17,18,21)(H,19,20,22)
InChIKeyOQUMMPDFOPZZII-UHFFFAOYSA-N
MW332.80 g/mol
LogP3.93
Rot. Bonds3

About 5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 56695489) has the molecular formula C15H17ClN6O and a molecular weight of 332.80 g/mol. Its IUPAC name is 5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID56695489
Molecular FormulaC15H17ClN6O
Molecular Weight332.80 g/mol
Exact Mass332.12
IUPAC Name5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2NC(C)(C)C)cc1Cl
InChIInChI=1S/C15H17ClN6O/c1-8-5-6-9(7-10(8)16)17-11-12(20-15(2,3)4)19-14-13(18-11)21-23-22-14/h5-7H,1-4H3,(H,17,18,21)(H,19,20,22)
InChIKeyOQUMMPDFOPZZII-UHFFFAOYSA-N
XLogP3.93
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N,6-N-bis(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3094576
N-(3-chloro-4-methylphenyl)-5-piperidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 23910144
5-N-(3-chloro-4-methylphenyl)-6-N-(furan-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1124708
5-(azepan-1-yl)-N-(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 543252
6-N-(3-bromophenyl)-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4913938
5-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 92847110
azane;N-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 68979981
azane;N-(3,4-dichlorophenyl)-6-(2-methylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 68981435
5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11676208
5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4250225
5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11538041
5-chloro-N-(3-chloro-4-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80931413

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 56695489) is 5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2NC(C)(C)C)cc1Cl.
What is the InChIKey of 5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is OQUMMPDFOPZZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O/c1-8-5-6-9(7-10(8)16)17-11-12(20-15(2,3)4)19-14-13(18-11)21-23-22-14/h5-7H,1-4H3,(H,17,18,21)(H,19,20,22).
What are the key properties of 5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 332.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-6-N-(3-chloro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 56695489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).