4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide

C16H19N5OS — CID 122160627

IUPAC4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C16H19N5OS/c22-16(17-15-2-1-11-23-15)21-9-7-20(8-10-21)14-6-5-13(18-19-14)12-3-4-12/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,22)
InChIKeyHNGCAJGDVPNFMV-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.77
Rot. Bonds3

About 4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide

4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 122160627) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID122160627
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C16H19N5OS/c22-16(17-15-2-1-11-23-15)21-9-7-20(8-10-21)14-6-5-13(18-19-14)12-3-4-12/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,22)
InChIKeyHNGCAJGDVPNFMV-UHFFFAOYSA-N
XLogP2.77
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-cyclopropylpyridazin-3-yl)-N-phenylpiperazine-1-carboxamide
CID 122279690
4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122335991
4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122346068
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122343979
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122279219
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 122279263
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 122246463
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
4-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-thiophen-2-ylpiperidine-1-carboxamide
CID 30864308
4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122349281

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide (CID 122160627) is 4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide is O=C(Nc1cccs1)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of 4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is HNGCAJGDVPNFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c22-16(17-15-2-1-11-23-15)21-9-7-20(8-10-21)14-6-5-13(18-19-14)12-3-4-12/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,22).
What are the key properties of 4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide?
4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclopropylpyridazin-3-yl)-N-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 122160627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).