(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate

C19H21N5O2 — CID 139547658

IUPAC(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate
SMILESCC(C)c1ccc(OC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1
InChIInChI=1S/C19H21N5O2/c1-14(2)15-3-6-17(7-4-15)26-19(25)24-11-9-23(10-12-24)18-8-5-16(13-20)21-22-18/h3-8,14H,9-12H2,1-2H3
InChIKeyOLRDMRXCXBJGDL-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.79
Rot. Bonds3

About (4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate

(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate (PubChem CID 139547658) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate
PubChem CID139547658
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate
SMILESCC(C)c1ccc(OC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1
InChIInChI=1S/C19H21N5O2/c1-14(2)15-3-6-17(7-4-15)26-19(25)24-11-9-23(10-12-24)18-8-5-16(13-20)21-22-18/h3-8,14H,9-12H2,1-2H3
InChIKeyOLRDMRXCXBJGDL-UHFFFAOYSA-N
XLogP2.79
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-propan-2-ylphenyl) 4-(6-ethynylpyridazin-3-yl)-3-methylpiperazine-1-carboxylate
CID 139548138
N-[1-(6-cyanopyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide;methanol
CID 145425836
6-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 133433565
N-[(3R,4R)-1-(6-cyanopyridazin-3-yl)-4-(methylamino)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 139547772
6-[4-[2-(1-methyl-2-propan-2-ylimidazol-4-yl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 139547804
tert-butyl piperazine-1-carboxylate;6-chloropyridazine-3-carbonitrile;3,3-dichloro-1,1,1-trifluoropropan-2-one;6-piperazin-1-ylpyridazine-3-carbonitrile;2-(4-propan-2-ylphenyl)acetic acid;6-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 161062647
1-[(3S)-1-(6-cyanopyridazin-3-yl)-4-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548157
6-(4-methylsulfonylpiperazin-1-yl)pyridazine-3-carbonitrile
CID 163347936
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
6-[(3R)-3-[[1-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 167119983
6-[3-oxo-4-[2-oxo-3-(4-propan-2-ylphenyl)propyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 145425940
1-[(3S,4S)-1-(6-cyanopyridazin-3-yl)-4-(methylamino)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 139548282

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate?
The IUPAC name of (4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate (CID 139547658) is (4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for (4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate?
The canonical SMILES for (4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate is CC(C)c1ccc(OC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate?
The InChIKey is OLRDMRXCXBJGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14(2)15-3-6-17(7-4-15)26-19(25)24-11-9-23(10-12-24)18-8-5-16(13-20)21-22-18/h3-8,14H,9-12H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate?
(4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl) 4-(6-cyanopyridazin-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 139547658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).