4,5-diamino-2-tert-butylpyridazin-3-one

C8H14N4O — CID 19081382

IUPAC4,5-diamino-2-tert-butylpyridazin-3-one
SMILESCC(C)(C)n1ncc(N)c(N)c1=O
InChIInChI=1S/C8H14N4O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,9-10H2,1-3H3
InChIKeyMRQQGSVSYDRQFN-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.16
Rot. Bonds

About 4,5-diamino-2-tert-butylpyridazin-3-one

4,5-diamino-2-tert-butylpyridazin-3-one (PubChem CID 19081382) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4,5-diamino-2-tert-butylpyridazin-3-one.

Molecular Properties

Compound Name4,5-diamino-2-tert-butylpyridazin-3-one
PubChem CID19081382
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4,5-diamino-2-tert-butylpyridazin-3-one
SMILESCC(C)(C)n1ncc(N)c(N)c1=O
InChIInChI=1S/C8H14N4O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,9-10H2,1-3H3
InChIKeyMRQQGSVSYDRQFN-UHFFFAOYSA-N
XLogP0.16
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(tert-butyl)-3(2H)-pyridazinone
CID 11321180
5-Amino-4-(dimethylamino)-2-ethylpyridazin-3-one
CID 53013843
4,5-Diamino-2-methylpyridazin-3(2H)-one
CID 12727261
5-amino-2-tert-butyl-4-methylpyridazin-3-(2H)-one
CID 19081366
4-amino-2-tert-butyl-5-nitropyridazin-3-(2H)-one
CID 19081412
5-Amino-4-bromo-2-tert-butylpyridazin-3-one
CID 20513815
5-Amino-2-tert-butyl-4-chloro-2,3-dihydropyridazin-3-one
CID 20513819
N-[5-(dimethylamino)-2-methyl-3-oxopyridazin-4-yl]acetamide
CID 57541435
N-[4-(dimethylamino)-6-oxo-1H-pyridazin-5-yl]acetamide
CID 68936245
4-Amino-2-methyl-5-(methylamino)pyridazin-3-one
CID 70314096
4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide
CID 145044645
5-Amino-4-(diethylamino)-2-ethylpyridazin-3-one
CID 50820665

Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-tert-butylpyridazin-3-one?
The IUPAC name of 4,5-diamino-2-tert-butylpyridazin-3-one (CID 19081382) is 4,5-diamino-2-tert-butylpyridazin-3-one.
What is the SMILES notation for 4,5-diamino-2-tert-butylpyridazin-3-one?
The canonical SMILES for 4,5-diamino-2-tert-butylpyridazin-3-one is CC(C)(C)n1ncc(N)c(N)c1=O.
What is the InChIKey of 4,5-diamino-2-tert-butylpyridazin-3-one?
The InChIKey is MRQQGSVSYDRQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,9-10H2,1-3H3.
What are the key properties of 4,5-diamino-2-tert-butylpyridazin-3-one?
4,5-diamino-2-tert-butylpyridazin-3-one has a molecular weight of 182.23 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-tert-butylpyridazin-3-one is sourced from PubChem (CID 19081382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).