3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid

C14H21N3O2 — CID 63996008

IUPAC3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCC(CC1CC1)Nc1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C14H21N3O2/c1-4-11(7-10-5-6-10)15-13-12(14(18)19)8(2)9(3)16-17-13/h10-11H,4-7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyCEKKPEGMPZHDKZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.78
Rot. Bonds6

About 3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid

3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 63996008) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID63996008
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCC(CC1CC1)Nc1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C14H21N3O2/c1-4-11(7-10-5-6-10)15-13-12(14(18)19)8(2)9(3)16-17-13/h10-11H,4-7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyCEKKPEGMPZHDKZ-UHFFFAOYSA-N
XLogP2.78
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid (CID 63996008) is 3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid is CCC(CC1CC1)Nc1nnc(C)c(C)c1C(=O)O.
What is the InChIKey of 3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is CEKKPEGMPZHDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-11(7-10-5-6-10)15-13-12(14(18)19)8(2)9(3)16-17-13/h10-11H,4-7H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid?
3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 63996008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).