3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide

C14H24N6O — CID 66055414

IUPAC3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CC(O)CC2CN(C)C)nnc(C)c1C
InChIInChI=1S/C14H24N6O/c1-8-9(2)17-18-14(12(8)13(15)16)20-7-11(21)5-10(20)6-19(3)4/h10-11,21H,5-7H2,1-4H3,(H3,15,16)
InChIKeyDFYKMNHZVDCMQG-UHFFFAOYSA-N
MW292.39 g/mol
LogP-0.12
Rot. Bonds4

About 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide

3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 66055414) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID66055414
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N2CC(O)CC2CN(C)C)nnc(C)c1C
InChIInChI=1S/C14H24N6O/c1-8-9(2)17-18-14(12(8)13(15)16)20-7-11(21)5-10(20)6-19(3)4/h10-11,21H,5-7H2,1-4H3,(H3,15,16)
InChIKeyDFYKMNHZVDCMQG-UHFFFAOYSA-N
XLogP-0.12
TPSA102.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide (CID 66055414) is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N2CC(O)CC2CN(C)C)nnc(C)c1C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is DFYKMNHZVDCMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-8-9(2)17-18-14(12(8)13(15)16)20-7-11(21)5-10(20)6-19(3)4/h10-11,21H,5-7H2,1-4H3,(H3,15,16).
What are the key properties of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide?
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 292.39 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 66055414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).