5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C17H20N6O2 — CID 42362151

IUPAC5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCCNc1nc2nonc2nc1N[C@H]1CCc2ccccc21
InChIInChI=1S/C17H20N6O2/c1-24-10-4-9-18-14-15(21-17-16(20-14)22-25-23-17)19-13-8-7-11-5-2-3-6-12(11)13/h2-3,5-6,13H,4,7-10H2,1H3,(H,18,20,22)(H,19,21,23)/t13-/m0/s1
InChIKeyAWPPJXQEZBFTDX-ZDUSSCGKSA-N
MW340.39 g/mol
LogP2.56
Rot. Bonds7

About 5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 42362151) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID42362151
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCCNc1nc2nonc2nc1N[C@H]1CCc2ccccc21
InChIInChI=1S/C17H20N6O2/c1-24-10-4-9-18-14-15(21-17-16(20-14)22-25-23-17)19-13-8-7-11-5-2-3-6-12(11)13/h2-3,5-6,13H,4,7-10H2,1H3,(H,18,20,22)(H,19,21,23)/t13-/m0/s1
InChIKeyAWPPJXQEZBFTDX-ZDUSSCGKSA-N
XLogP2.56
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 42362151) is 5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COCCCNc1nc2nonc2nc1N[C@H]1CCc2ccccc21.
What is the InChIKey of 5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is AWPPJXQEZBFTDX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-24-10-4-9-18-14-15(21-17-16(20-14)22-25-23-17)19-13-8-7-11-5-2-3-6-12(11)13/h2-3,5-6,13H,4,7-10H2,1H3,(H,18,20,22)(H,19,21,23)/t13-/m0/s1.
What are the key properties of 5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 340.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-N-(3-methoxypropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 42362151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).