2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one

C16H16N4O — CID 22721992

IUPAC2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one
SMILESCCC(C)c1nc2cnnc(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C16H16N4O/c1-3-10(2)13-16(21)19-15-12(18-13)9-17-20-14(15)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyMJBVPSVZEBBGJP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.89
Rot. Bonds3

About 2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one

2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one (PubChem CID 22721992) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one.

Molecular Properties

Compound Name2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one
PubChem CID22721992
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one
SMILESCCC(C)c1nc2cnnc(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C16H16N4O/c1-3-10(2)13-16(21)19-15-12(18-13)9-17-20-14(15)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,19,21)
InChIKeyMJBVPSVZEBBGJP-UHFFFAOYSA-N
XLogP2.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-phenylpyrazol-1-yl)ethyl]cyclopentanecarboxamide
CID 123225257
N-(1,3-diphenylpyrazol-4-yl)acetamide
CID 2319248
N-(4-isopropylphenyl)-1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 45176595
N-(1,3-diphenylpyrazol-4-yl)dodecanamide
CID 46204446
(2S)-2-amino-N-(1,3-diphenylpyrazol-4-yl)propanamide
CID 46204447
12-amino-N-(1,3-diphenylpyrazol-4-yl)dodecanamide
CID 46204449
1-benzyl-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 72026461
N-phenyl-3-[1-[1-(5-phenyl-1H-pyrazol-4-yl)ethyl]piperidin-4-yl]propanamide
CID 73355014
N-(1,3-Dimethylpyrazol-4-YL)-2-[1-(2-phenylacetyl)piperidin-4-YL]acetamide
CID 92634156
N-(1,3-Dimethylpyrazol-4-YL)-2-[1-(2-phenylethyl)piperidin-4-YL]acetamide
CID 92634157
11-[3-(2-ethylphenyl)-6-imino-4-methylpyridazin-1-yl]-N-(6-phenylpyridazin-4-yl)undecanamide
CID 172441028
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-1-(2-phenylethyl)-3-piperidinecarboxamide
CID 24790278

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one?
The IUPAC name of 2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one (CID 22721992) is 2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one.
What is the SMILES notation for 2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one?
The canonical SMILES for 2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one is CCC(C)c1nc2cnnc(-c3ccccc3)c2[nH]c1=O.
What is the InChIKey of 2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one?
The InChIKey is MJBVPSVZEBBGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-10(2)13-16(21)19-15-12(18-13)9-17-20-14(15)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,19,21).
What are the key properties of 2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one?
2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one has a molecular weight of 280.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-phenyl-4H-pyrazino[2,3-d]pyridazin-3-one is sourced from PubChem (CID 22721992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).