3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide

C8H13N5O — CID 121203994

IUPAC3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(O)C(n2ccnc2)C1
InChIInChI=1S/C8H13N5O/c9-8(10)13-3-6(7(14)4-13)12-2-1-11-5-12/h1-2,5-7,14H,3-4H2,(H3,9,10)
InChIKeyULUCRBCLIRFIMP-UHFFFAOYSA-N
MW195.23 g/mol
LogP-1.01
Rot. Bonds1

About 3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide

3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide (PubChem CID 121203994) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide
PubChem CID121203994
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC(O)C(n2ccnc2)C1
InChIInChI=1S/C8H13N5O/c9-8(10)13-3-6(7(14)4-13)12-2-1-11-5-12/h1-2,5-7,14H,3-4H2,(H3,9,10)
InChIKeyULUCRBCLIRFIMP-UHFFFAOYSA-N
XLogP-1.01
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide?
The IUPAC name of 3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide (CID 121203994) is 3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for 3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CC(O)C(n2ccnc2)C1.
What is the InChIKey of 3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide?
The InChIKey is ULUCRBCLIRFIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-8(10)13-3-6(7(14)4-13)12-2-1-11-5-12/h1-2,5-7,14H,3-4H2,(H3,9,10).
What are the key properties of 3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide?
3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide has a molecular weight of 195.23 g/mol, XLogP of -1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-imidazol-1-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 121203994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).