3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide

C11H17N5O3 — CID 136868262

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide
SMILESCOC1CN(c2nccnc2C(N)=NO)CC1OC
InChIInChI=1S/C11H17N5O3/c1-18-7-5-16(6-8(7)19-2)11-9(10(12)15-17)13-3-4-14-11/h3-4,7-8,17H,5-6H2,1-2H3,(H2,12,15)
InChIKeyGMDZYWZDQCTXBW-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.58
Rot. Bonds4

About 3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide

3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 136868262) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide
PubChem CID136868262
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide
SMILESCOC1CN(c2nccnc2C(N)=NO)CC1OC
InChIInChI=1S/C11H17N5O3/c1-18-7-5-16(6-8(7)19-2)11-9(10(12)15-17)13-3-4-14-11/h3-4,7-8,17H,5-6H2,1-2H3,(H2,12,15)
InChIKeyGMDZYWZDQCTXBW-UHFFFAOYSA-N
XLogP-0.58
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.58
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-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide (CID 136868262) is 3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide is COC1CN(c2nccnc2C(N)=NO)CC1OC.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is GMDZYWZDQCTXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-18-7-5-16(6-8(7)19-2)11-9(10(12)15-17)13-3-4-14-11/h3-4,7-8,17H,5-6H2,1-2H3,(H2,12,15).
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide?
3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 267.29 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 136868262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).