3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

C13H21N5O3 — CID 76994064

IUPAC3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)c1nccn(C2CC2)c1=O
InChIInChI=1S/C13H21N5O3/c1-21-9-8-17(6-4-11(14)16-20)12-13(19)18(7-5-15-12)10-2-3-10/h5,7,10,20H,2-4,6,8-9H2,1H3,(H2,14,16)
InChIKeyPCYZXULWTUWALV-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.17
Rot. Bonds8

About 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide

3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76994064) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76994064
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCOCCN(CCC(N)=NO)c1nccn(C2CC2)c1=O
InChIInChI=1S/C13H21N5O3/c1-21-9-8-17(6-4-11(14)16-20)12-13(19)18(7-5-15-12)10-2-3-10/h5,7,10,20H,2-4,6,8-9H2,1H3,(H2,14,16)
InChIKeyPCYZXULWTUWALV-UHFFFAOYSA-N
XLogP0.17
TPSA105.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide (CID 76994064) is 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is COCCN(CCC(N)=NO)c1nccn(C2CC2)c1=O.
What is the InChIKey of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is PCYZXULWTUWALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-21-9-8-17(6-4-11(14)16-20)12-13(19)18(7-5-15-12)10-2-3-10/h5,7,10,20H,2-4,6,8-9H2,1H3,(H2,14,16).
What are the key properties of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide?
3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 295.34 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-(2-methoxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76994064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).