3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid

C14H13N3O2 — CID 80517888

IUPAC3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NC1CC1c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-14(19)10-6-7-15-17-13(10)16-12-8-11(12)9-4-2-1-3-5-9/h1-7,11-12H,8H2,(H,16,17)(H,18,19)
InChIKeyWAJBDBNTSJBBNG-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.14
Rot. Bonds4

About 3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid

3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80517888) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid
PubChem CID80517888
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NC1CC1c1ccccc1
InChIInChI=1S/C14H13N3O2/c18-14(19)10-6-7-15-17-13(10)16-12-8-11(12)9-4-2-1-3-5-9/h1-7,11-12H,8H2,(H,16,17)(H,18,19)
InChIKeyWAJBDBNTSJBBNG-UHFFFAOYSA-N
XLogP2.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridazine-4-carboxylic acid
CID 80517876
3-[(2-methylcyclohexyl)amino]pyridazine-4-carboxylic acid
CID 80517843
3-[[(1S)-2,2-dimethylcyclopropyl]amino]pyridazine-4-carboxylic acid
CID 124512624
2-fluoro-4-[(2-phenylcyclopropyl)amino]benzoic acid
CID 115485226
2-methyl-4-[(2-phenylcyclopropyl)amino]benzoic acid
CID 81281627
3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine
CID 113228947
3-[(2-phenylcyclopropyl)amino]pyridine-4-carbothioamide
CID 114288410
2-[(2-phenylcyclopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570912
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
2-[(2-phenylcyclopropyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114828
2-[[(2-phenylcyclopropyl)amino]methyl]furan-3-carboxylic acid
CID 103244631
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid (CID 80517888) is 3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1NC1CC1c1ccccc1.
What is the InChIKey of 3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is WAJBDBNTSJBBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14(19)10-6-7-15-17-13(10)16-12-8-11(12)9-4-2-1-3-5-9/h1-7,11-12H,8H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid?
3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylcyclopropyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).