3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid

C14H21N3O2 — CID 80517756

IUPAC3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(N(CC)C2CC2)c(C(=O)O)c1CC
InChIInChI=1S/C14H21N3O2/c1-4-10-11(5-2)15-16-13(12(10)14(18)19)17(6-3)9-7-8-9/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyZNSIJHVPLBPNPS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.29
Rot. Bonds6

About 3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid

3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid (PubChem CID 80517756) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid
PubChem CID80517756
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid
SMILESCCc1nnc(N(CC)C2CC2)c(C(=O)O)c1CC
InChIInChI=1S/C14H21N3O2/c1-4-10-11(5-2)15-16-13(12(10)14(18)19)17(6-3)9-7-8-9/h9H,4-8H2,1-3H3,(H,18,19)
InChIKeyZNSIJHVPLBPNPS-UHFFFAOYSA-N
XLogP2.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid (CID 80517756) is 3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid is CCc1nnc(N(CC)C2CC2)c(C(=O)O)c1CC.
What is the InChIKey of 3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid?
The InChIKey is ZNSIJHVPLBPNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-10-11(5-2)15-16-13(12(10)14(18)19)17(6-3)9-7-8-9/h9H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid?
3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(ethyl)amino]-5,6-diethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 80517756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).