3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid

C14H21N3O2 — CID 80516830

IUPAC3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid
SMILESCC1CCC(CCNc2nnccc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-10-2-4-11(5-3-10)6-8-15-13-12(14(18)19)7-9-16-17-13/h7,9-11H,2-6,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyFXTLDDDALHWNDV-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.80
Rot. Bonds5

About 3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid

3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid (PubChem CID 80516830) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid
PubChem CID80516830
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid
SMILESCC1CCC(CCNc2nnccc2C(=O)O)CC1
InChIInChI=1S/C14H21N3O2/c1-10-2-4-11(5-3-10)6-8-15-13-12(14(18)19)7-9-16-17-13/h7,9-11H,2-6,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyFXTLDDDALHWNDV-UHFFFAOYSA-N
XLogP2.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hexylamino)pyridazine-4-carboxylic acid
CID 80516727
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
CID 80517570
3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
CID 103464876
3-[2-(diethylamino)ethylamino]pyridazine-4-carboxylic acid
CID 80517538
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
3-(3-methylsulfanylpropylamino)pyridazine-4-carboxylic acid
CID 80516931
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960
2-(2-cyclopentylethylamino)pyridine-3-carboxylic acid
CID 60731921
2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid
CID 55223076
3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 105382378
3-[2-(cyclopenten-1-yl)ethylamino]pyridazine-4-carboxylic acid
CID 106178584
5-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64631108

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid (CID 80516830) is 3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid is CC1CCC(CCNc2nnccc2C(=O)O)CC1.
What is the InChIKey of 3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid?
The InChIKey is FXTLDDDALHWNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-2-4-11(5-3-10)6-8-15-13-12(14(18)19)7-9-16-17-13/h7,9-11H,2-6,8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid?
3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).