[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone

C18H20N4O — CID 122279226

IUPAC[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C18H20N4O/c23-18(15-4-2-1-3-5-15)22-12-10-21(11-13-22)17-9-8-16(19-20-17)14-6-7-14/h1-5,8-9,14H,6-7,10-13H2
InChIKeyZMGQVSUWILJDQP-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.32
Rot. Bonds3

About [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 122279226) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
PubChem CID122279226
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C18H20N4O/c23-18(15-4-2-1-3-5-15)22-12-10-21(11-13-22)17-9-8-16(19-20-17)14-6-7-14/h1-5,8-9,14H,6-7,10-13H2
InChIKeyZMGQVSUWILJDQP-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 122279371
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 122279263
4-(6-cyclopropylpyridazin-3-yl)-N-phenylpiperazine-1-carboxamide
CID 122279690
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122279259
4-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 122279277
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122279513
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 122279328
6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-phenyl-1H-pyrimidine-2,4-dione
CID 122279579
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 122279552

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone (CID 122279226) is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is ZMGQVSUWILJDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(15-4-2-1-3-5-15)22-12-10-21(11-13-22)17-9-8-16(19-20-17)14-6-7-14/h1-5,8-9,14H,6-7,10-13H2.
What are the key properties of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone?
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 308.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 122279226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).