5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C13H21N7O — CID 25366113

IUPAC5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCN(CC)CCNc1nc2nonc2nc1NC1CC1
InChIInChI=1S/C13H21N7O/c1-3-20(4-2)8-7-14-10-11(15-9-5-6-9)17-13-12(16-10)18-21-19-13/h9H,3-8H2,1-2H3,(H,14,16,18)(H,15,17,19)
InChIKeyVHVUUDZBAQJCSR-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.34
Rot. Bonds8

About 5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 25366113) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID25366113
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCN(CC)CCNc1nc2nonc2nc1NC1CC1
InChIInChI=1S/C13H21N7O/c1-3-20(4-2)8-7-14-10-11(15-9-5-6-9)17-13-12(16-10)18-21-19-13/h9H,3-8H2,1-2H3,(H,14,16,18)(H,15,17,19)
InChIKeyVHVUUDZBAQJCSR-UHFFFAOYSA-N
XLogP1.34
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

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Related Compounds

N',N'-diethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508860
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
CID 81035871
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
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456040
6-N-cyclopentyl-5-N-methyl-5-N-(3-morpholin-4-ylpropyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 25301201
4-N-[2-(diethylamino)ethyl]-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80980989
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458581
N',N'-diethyl-N-(6-hydrazinyl-5-methyl-2-propylpyrimidin-4-yl)ethane-1,2-diamine
CID 81000696
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 82456508
4-N-cyclobutyl-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80982309
6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80769439

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 25366113) is 5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CCN(CC)CCNc1nc2nonc2nc1NC1CC1.
What is the InChIKey of 5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is VHVUUDZBAQJCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-3-20(4-2)8-7-14-10-11(15-9-5-6-9)17-13-12(16-10)18-21-19-13/h9H,3-8H2,1-2H3,(H,14,16,18)(H,15,17,19).
What are the key properties of 5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 291.36 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-6-N-[2-(diethylamino)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 25366113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).