(2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide

C15H25N5O2 — CID 97212367

IUPAC(2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide
SMILESCCCCNC(=O)[C@@H](C)N1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C15H25N5O2/c1-3-4-7-16-15(22)12(2)19-8-10-20(11-9-19)13-5-6-14(21)18-17-13/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,22)(H,18,21)/t12-/m1/s1
InChIKeyMLIXPWRFERGRLZ-GFCCVEGCSA-N
MW307.40 g/mol
LogP0.20
Rot. Bonds6

About (2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide

(2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide (PubChem CID 97212367) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide
PubChem CID97212367
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide
SMILESCCCCNC(=O)[C@@H](C)N1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C15H25N5O2/c1-3-4-7-16-15(22)12(2)19-8-10-20(11-9-19)13-5-6-14(21)18-17-13/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,22)(H,18,21)/t12-/m1/s1
InChIKeyMLIXPWRFERGRLZ-GFCCVEGCSA-N
XLogP0.20
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide (CID 97212367) is (2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide is CCCCNC(=O)[C@@H](C)N1CCN(c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of (2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide?
The InChIKey is MLIXPWRFERGRLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-3-4-7-16-15(22)12(2)19-8-10-20(11-9-19)13-5-6-14(21)18-17-13/h5-6,12H,3-4,7-11H2,1-2H3,(H,16,22)(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide?
(2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide has a molecular weight of 307.40 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 97212367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).