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

C14H16N6O2 — CID 42396417

IUPAC6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(CN(C)c2nc3nonc3nc2NC2CC2)o1
InChIInChI=1S/C14H16N6O2/c1-8-3-6-10(21-8)7-20(2)14-13(15-9-4-5-9)16-11-12(17-14)19-22-18-11/h3,6,9H,4-5,7H2,1-2H3,(H,15,16,18)
InChIKeyPOYFKIPMZSDFDD-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.12
Rot. Bonds5

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

6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 42396417) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID42396417
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(CN(C)c2nc3nonc3nc2NC2CC2)o1
InChIInChI=1S/C14H16N6O2/c1-8-3-6-10(21-8)7-20(2)14-13(15-9-4-5-9)16-11-12(17-14)19-22-18-11/h3,6,9H,4-5,7H2,1-2H3,(H,15,16,18)
InChIKeyPOYFKIPMZSDFDD-UHFFFAOYSA-N
XLogP2.12
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine 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 6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 42396417) is 6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(CN(C)c2nc3nonc3nc2NC2CC2)o1.
What is the InChIKey of 6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is POYFKIPMZSDFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-8-3-6-10(21-8)7-20(2)14-13(15-9-4-5-9)16-11-12(17-14)19-22-18-11/h3,6,9H,4-5,7H2,1-2H3,(H,15,16,18).
What are the key properties of 6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 300.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-5-N-methyl-5-N-[(5-methylfuran-2-yl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 42396417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).