N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide

C14H23N5O — CID 136914270

IUPACN'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide
SMILESCc1nnc(N2CCC(C(C)C)C2)c(C(N)=NO)c1C
InChIInChI=1S/C14H23N5O/c1-8(2)11-5-6-19(7-11)14-12(13(15)18-20)9(3)10(4)16-17-14/h8,11,20H,5-7H2,1-4H3,(H2,15,18)
InChIKeyOSWMHQAQJAPZQP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.67
Rot. Bonds3

About N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide

N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide (PubChem CID 136914270) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide
PubChem CID136914270
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide
SMILESCc1nnc(N2CCC(C(C)C)C2)c(C(N)=NO)c1C
InChIInChI=1S/C14H23N5O/c1-8(2)11-5-6-19(7-11)14-12(13(15)18-20)9(3)10(4)16-17-14/h8,11,20H,5-7H2,1-4H3,(H2,15,18)
InChIKeyOSWMHQAQJAPZQP-UHFFFAOYSA-N
XLogP1.67
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
CID 136811804
3-(2,4-dimethylpyrrolidin-1-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136820485
N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 115965345
3-(1,1-dioxo-1,4-thiazepan-4-yl)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136733794
N'-hydroxy-5,6-dimethyl-3-(3-methylmorpholin-4-yl)pyridazine-4-carboximidamide
CID 136924818
N'-hydroxy-5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carboximidamide
CID 136924844
3-(4-tert-butylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62089530
N'-hydroxy-5,6-dimethyl-3-(3-methylbutan-2-ylsulfanyl)pyridazine-4-carboximidamide
CID 136927694
N,2,5-trimethyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 113419461
2-bromo-N'-hydroxy-6-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 114883288
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 79938613
3-(3,4-dimethylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 55216184

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
The IUPAC name of N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide (CID 136914270) is N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide is Cc1nnc(N2CCC(C(C)C)C2)c(C(N)=NO)c1C.
What is the InChIKey of N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
The InChIKey is OSWMHQAQJAPZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-8(2)11-5-6-19(7-11)14-12(13(15)18-20)9(3)10(4)16-17-14/h8,11,20H,5-7H2,1-4H3,(H2,15,18).
What are the key properties of N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide?
N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5,6-dimethyl-3-(3-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carboximidamide is sourced from PubChem (CID 136914270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).