6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C10H14N6O2 — CID 29088836

IUPAC6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC=CCNc1nc2nonc2nc1NCCOC
InChIInChI=1S/C10H14N6O2/c1-3-4-11-7-8(12-5-6-17-2)14-10-9(13-7)15-18-16-10/h3H,1,4-6H2,2H3,(H,11,13,15)(H,12,14,16)
InChIKeySQEKYCRZUQGPPA-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.67
Rot. Bonds7

About 6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 29088836) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID29088836
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC=CCNc1nc2nonc2nc1NCCOC
InChIInChI=1S/C10H14N6O2/c1-3-4-11-7-8(12-5-6-17-2)14-10-9(13-7)15-18-16-10/h3H,1,4-6H2,2H3,(H,11,13,15)(H,12,14,16)
InChIKeySQEKYCRZUQGPPA-UHFFFAOYSA-N
XLogP0.67
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(2-Hydroxyethylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]ethanol
CID 3143325
6-[3-(diethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 16191518
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(2-methoxyethyl)[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 16191092
N-(2-methoxyethyl)-N'-(2-methyl-2-propen-1-yl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 26316752
N-(2-methoxyethyl)-N'-(2,2,2-trifluoroethyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 42214528
N'-(3-methoxypropyl)-N-methyl-N-[4-(4-morpholinyl)butyl][1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 25312101
N'-(2-methoxyethyl)-N-methyl-N-[2-(1-pyrrolidinyl)ethyl][1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 25367909
N-allyl-N'-(3-methoxypropyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 25385120
N-cyclopropyl-N'-(3-methoxypropyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 25454809
N'-cyclopentyl-N-(2-methoxyethyl)-N-methyl[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 25486934
N-allyl-N'-cyclopropyl[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 26328690
N'-(3-methoxypropyl)-N-methyl-N-[3-(4-morpholinyl)propyl][1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 28922168

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 29088836) is 6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is C=CCNc1nc2nonc2nc1NCCOC.
What is the InChIKey of 6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is SQEKYCRZUQGPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-3-4-11-7-8(12-5-6-17-2)14-10-9(13-7)15-18-16-10/h3H,1,4-6H2,2H3,(H,11,13,15)(H,12,14,16).
What are the key properties of 6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 250.26 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 29088836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).