5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide

C11H17N5O — CID 102781499

IUPAC5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCC(C)C2CO)cn1
InChIInChI=1S/C11H17N5O/c1-7-2-3-16(9(7)6-17)10-5-14-8(4-15-10)11(12)13/h4-5,7,9,17H,2-3,6H2,1H3,(H3,12,13)
InChIKeySYPFSVVYYVZMTK-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.03
Rot. Bonds3

About 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide

5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide (PubChem CID 102781499) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide
PubChem CID102781499
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCC(C)C2CO)cn1
InChIInChI=1S/C11H17N5O/c1-7-2-3-16(9(7)6-17)10-5-14-8(4-15-10)11(12)13/h4-5,7,9,17H,2-3,6H2,1H3,(H3,12,13)
InChIKeySYPFSVVYYVZMTK-UHFFFAOYSA-N
XLogP-0.03
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide?
The IUPAC name of 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide (CID 102781499) is 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide.
What is the SMILES notation for 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide?
The canonical SMILES for 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide is [H]/N=C(\N)c1cnc(N2CCC(C)C2CO)cn1.
What is the InChIKey of 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide?
The InChIKey is SYPFSVVYYVZMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-2-3-16(9(7)6-17)10-5-14-8(4-15-10)11(12)13/h4-5,7,9,17H,2-3,6H2,1H3,(H3,12,13).
What are the key properties of 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide?
5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyrazine-2-carboximidamide is sourced from PubChem (CID 102781499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).