3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide

C11H17N5O — CID 55130398

IUPAC3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCC(O)C2)nnc(C)c1C
InChIInChI=1S/C11H17N5O/c1-6-7(2)14-15-11(9(6)10(12)13)16-4-3-8(17)5-16/h8,17H,3-5H2,1-2H3,(H3,12,13)
InChIKeyLPFLEDUWVAJTNH-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.05
Rot. Bonds2

About 3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide

3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 55130398) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID55130398
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CCC(O)C2)nnc(C)c1C
InChIInChI=1S/C11H17N5O/c1-6-7(2)14-15-11(9(6)10(12)13)16-4-3-8(17)5-16/h8,17H,3-5H2,1-2H3,(H3,12,13)
InChIKeyLPFLEDUWVAJTNH-UHFFFAOYSA-N
XLogP-0.05
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.05
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 3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide (CID 55130398) is 3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N2CCC(O)C2)nnc(C)c1C.
What is the InChIKey of 3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is LPFLEDUWVAJTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-6-7(2)14-15-11(9(6)10(12)13)16-4-3-8(17)5-16/h8,17H,3-5H2,1-2H3,(H3,12,13).
What are the key properties of 3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide?
3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 55130398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).