5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one

C24H29N5O — CID 83290545

IUPAC5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one
SMILESCCCNc1n[nH]cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=O
InChIInChI=1S/C24H29N5O/c1-2-13-25-24-23(30)21(18-26-27-24)28-14-16-29(17-15-28)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,22H,2,13-17H2,1H3,(H,25,27)(H,26,30)
InChIKeyDEYCWTZSEDUSAP-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.50
Rot. Bonds7

About 5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one

5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one (PubChem CID 83290545) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one.

Molecular Properties

Compound Name5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one
PubChem CID83290545
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one
SMILESCCCNc1n[nH]cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=O
InChIInChI=1S/C24H29N5O/c1-2-13-25-24-23(30)21(18-26-27-24)28-14-16-29(17-15-28)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,22H,2,13-17H2,1H3,(H,25,27)(H,26,30)
InChIKeyDEYCWTZSEDUSAP-UHFFFAOYSA-N
XLogP3.50
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
6-(4-benzhydrylpiperazin-1-yl)-4-N-butylpyrimidine-4,5-diamine
CID 19134793
6-(4-benzhydrylpiperazin-1-yl)-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 19139653
3-(4-benzhydrylpiperazin-1-yl)-4H-1,2,4-triazin-5-one
CID 135763966
ethyl 4-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-phenylpyridazine-3-carboxylate
CID 20933492
4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 22371006
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
(Z)-3-(4-benzhydrylpiperazin-1-yl)-2-cyano-N-propylprop-2-enamide
CID 108820196
1-benzhydryl-4-butylpiperazine
CID 13416419
methyl 6-(4-benzhydrylpiperazin-1-yl)pyridine-3-carboxylate
CID 14987941
ethyl 2-(4-benzhydrylpiperazin-1-yl)-3-oxobutanoate
CID 175095148
4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide
CID 133269505

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one?
The IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one (CID 83290545) is 5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one.
What is the SMILES notation for 5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one?
The canonical SMILES for 5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one is CCCNc1n[nH]cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=O.
What is the InChIKey of 5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one?
The InChIKey is DEYCWTZSEDUSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-2-13-25-24-23(30)21(18-26-27-24)28-14-16-29(17-15-28)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,22H,2,13-17H2,1H3,(H,25,27)(H,26,30).
What are the key properties of 5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one?
5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one has a molecular weight of 403.53 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzhydrylpiperazin-1-yl)-3-(propylamino)-1H-pyridazin-4-one is sourced from PubChem (CID 83290545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).