ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate

C16H23N5O3 — CID 71778468

IUPACethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C16H23N5O3/c1-2-24-16(23)21-11-9-20(10-12-21)15(22)13-5-6-14(18-17-13)19-7-3-4-8-19/h5-6H,2-4,7-12H2,1H3
InChIKeyRFKMAPACLWAJCG-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.99
Rot. Bonds3

About ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate

ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate (PubChem CID 71778468) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate
PubChem CID71778468
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Nameethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1
InChIInChI=1S/C16H23N5O3/c1-2-24-16(23)21-11-9-20(10-12-21)15(22)13-5-6-14(18-17-13)19-7-3-4-8-19/h5-6H,2-4,7-12H2,1H3
InChIKeyRFKMAPACLWAJCG-UHFFFAOYSA-N
XLogP0.99
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate (CID 71778468) is ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(N3CCCC3)nn2)CC1.
What is the InChIKey of ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is RFKMAPACLWAJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-2-24-16(23)21-11-9-20(10-12-21)15(22)13-5-6-14(18-17-13)19-7-3-4-8-19/h5-6H,2-4,7-12H2,1H3.
What are the key properties of ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate?
ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 71778468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).