3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine

C11H19N5O — CID 113228910

IUPAC3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
SMILESNc1nccnc1NCCCN1CCOCC1
InChIInChI=1S/C11H19N5O/c12-10-11(15-4-3-13-10)14-2-1-5-16-6-8-17-9-7-16/h3-4H,1-2,5-9H2,(H2,12,13)(H,14,15)
InChIKeyGXOWMTFIBRGHML-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.19
Rot. Bonds5

About 3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine

3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine (PubChem CID 113228910) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
PubChem CID113228910
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine
SMILESNc1nccnc1NCCCN1CCOCC1
InChIInChI=1S/C11H19N5O/c12-10-11(15-4-3-13-10)14-2-1-5-16-6-8-17-9-7-16/h3-4H,1-2,5-9H2,(H2,12,13)(H,14,15)
InChIKeyGXOWMTFIBRGHML-UHFFFAOYSA-N
XLogP0.19
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-morpholin-4-ylpropylamino)-1H-pyrazin-2-one
CID 115656848
3,5-dichloro-6-N-(3-morpholin-4-ylpropyl)pyridine-2,6-diamine
CID 102755807
2-N-(3-morpholin-4-ylpropyl)pyrimidine-2,5-diamine
CID 24823423
3-(2-morpholin-4-ylethylamino)pyrazine-2-carbothioamide
CID 62683926
5-fluoro-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 80771545
2-N-(2-morpholin-4-ylethyl)pyridine-2,3-diamine
CID 14417721
N-(3-morpholin-4-ylpropyl)thieno[3,2-c]pyridin-4-amine
CID 43522796
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carboxylic acid
CID 107061850
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
CID 107056894
5-bromo-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 66341208
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
3,6-dichloro-N-(3-morpholin-4-ylpropyl)-1,2,4-triazin-5-amine
CID 81035323

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine (CID 113228910) is 3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine is Nc1nccnc1NCCCN1CCOCC1.
What is the InChIKey of 3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine?
The InChIKey is GXOWMTFIBRGHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-10-11(15-4-3-13-10)14-2-1-5-16-6-8-17-9-7-16/h3-4H,1-2,5-9H2,(H2,12,13)(H,14,15).
What are the key properties of 3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine?
3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine has a molecular weight of 237.31 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-morpholin-4-ylpropyl)pyrazine-2,3-diamine is sourced from PubChem (CID 113228910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).