(3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C15H17N5O — CID 119873679

IUPAC(3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCN(c3cccnn3)CC2)c1
InChIInChI=1S/C15H17N5O/c16-13-4-1-3-12(11-13)15(21)20-9-7-19(8-10-20)14-5-2-6-17-18-14/h1-6,11H,7-10,16H2
InChIKeyNFXBVORZUSRVMK-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.02
Rot. Bonds2

About (3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 119873679) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is (3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID119873679
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name(3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCN(c3cccnn3)CC2)c1
InChIInChI=1S/C15H17N5O/c16-13-4-1-3-12(11-13)15(21)20-9-7-19(8-10-20)14-5-2-6-17-18-14/h1-6,11H,7-10,16H2
InChIKeyNFXBVORZUSRVMK-UHFFFAOYSA-N
XLogP1.02
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-pyridazin-3-ylpiperazine-1-carbonyl)phenoxy]acetic acid
CID 119183766
(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060430
(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
(3-aminophenyl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879787
(3-aminophenyl)-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119887331
(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060283
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060380
(3-aminophenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119837058
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060383
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 119873679) is (3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is Nc1cccc(C(=O)N2CCN(c3cccnn3)CC2)c1.
What is the InChIKey of (3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is NFXBVORZUSRVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-13-4-1-3-12(11-13)15(21)20-9-7-19(8-10-20)14-5-2-6-17-18-14/h1-6,11H,7-10,16H2.
What are the key properties of (3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 119873679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).