3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid

C11H15N3O2 — CID 80517570

IUPAC3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCC1CCCC1
InChIInChI=1S/C11H15N3O2/c15-11(16)9-5-6-13-14-10(9)12-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,12,14)(H,15,16)
InChIKeyWDVNFANGTOFBNC-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.78
Rot. Bonds4

About 3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid

3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid (PubChem CID 80517570) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
PubChem CID80517570
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCC1CCCC1
InChIInChI=1S/C11H15N3O2/c15-11(16)9-5-6-13-14-10(9)12-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,12,14)(H,15,16)
InChIKeyWDVNFANGTOFBNC-UHFFFAOYSA-N
XLogP1.78
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxan-3-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517608
3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
CID 80517643
2-(cyclopentylmethylamino)-3-fluoropyridine-4-carboxylic acid
CID 105381902
3-(2,2-dimethylbutylamino)pyridazine-4-carboxylic acid
CID 103464876
3-[2-(4-methylcyclohexyl)ethylamino]pyridazine-4-carboxylic acid
CID 80516830
3-[(2-methoxy-2-methylpropyl)amino]pyridazine-4-carboxylic acid
CID 104765960
3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid
CID 114179237
3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80516623
3-(pyridin-4-ylmethylamino)pyridazine-4-carboxylic acid
CID 80517663
3-(oxan-4-ylmethylamino)pyridazine-4-carbothioamide
CID 80511706
3-(4-methoxybutylamino)pyridazine-4-carboxylic acid
CID 80517584
3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80517843

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid (CID 80517570) is 3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1NCC1CCCC1.
What is the InChIKey of 3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid?
The InChIKey is WDVNFANGTOFBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)9-5-6-13-14-10(9)12-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H,12,14)(H,15,16).
What are the key properties of 3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid?
3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).