3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid

C14H22N4O2 — CID 62709953

IUPAC3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCN1CCC(CNc2nnc(C)c(C)c2C(=O)O)C1
InChIInChI=1S/C14H22N4O2/c1-4-18-6-5-11(8-18)7-15-13-12(14(19)20)9(2)10(3)16-17-13/h11H,4-8H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyOLRXSGGYSVJYQR-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.55
Rot. Bonds5

About 3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid

3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 62709953) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID62709953
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCN1CCC(CNc2nnc(C)c(C)c2C(=O)O)C1
InChIInChI=1S/C14H22N4O2/c1-4-18-6-5-11(8-18)7-15-13-12(14(19)20)9(2)10(3)16-17-13/h11H,4-8H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyOLRXSGGYSVJYQR-UHFFFAOYSA-N
XLogP1.55
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 55241724
6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60855532
3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid
CID 63996008
methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000868
N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 60856399
4-methyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]phthalazin-1-amine
CID 125438915
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]acetate
CID 60856206
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526554
3-bromo-2-N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methylpyridine-2,5-diamine
CID 113420407
6-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80970244
ethyl 3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383011
2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide
CID 61306295

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 62709953) is 3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid is CCN1CCC(CNc2nnc(C)c(C)c2C(=O)O)C1.
What is the InChIKey of 3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is OLRXSGGYSVJYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-18-6-5-11(8-18)7-15-13-12(14(19)20)9(2)10(3)16-17-13/h11H,4-8H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-3-yl)methylamino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 62709953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).