tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C20H26N4O5 — CID 11682805

IUPACtert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c(N)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C20H26N4O5/c1-19(2,3)28-17(26)24(18(27)29-20(4,5)6)15-13(21)14(22-23-16(15)25)12-10-8-7-9-11-12/h7-11H,1-6H3,(H3,21,23,25)
InChIKeySTRPWWIBXIXFNX-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.70
Rot. Bonds2

About tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 11682805) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID11682805
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Nametert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c(N)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C20H26N4O5/c1-19(2,3)28-17(26)24(18(27)29-20(4,5)6)15-13(21)14(22-23-16(15)25)12-10-8-7-9-11-12/h7-11H,1-6H3,(H3,21,23,25)
InChIKeySTRPWWIBXIXFNX-UHFFFAOYSA-N
XLogP3.70
TPSA127.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

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Related Compounds

4-amino-5-nitroso-3-phenyl-1H-pyridazin-6-one
CID 10443288
tert-butyl N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamate
CID 157040003
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
tert-butyl 2-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanoate
CID 134914638
tert-butyl N-hydroxy-N-(5-oxo-3-phenyl-4-propan-2-yl-1H-pyrazol-4-yl)carbamate
CID 129057182
tert-butyl [(1,4-dimethyl-5-oxo-3-phenylpyrazol-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino] carbonate
CID 118542242
tert-butyl N-methyl-N-[4-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]carbamate
CID 157040156
tert-butyl 5-oxo-4-phenyl-1,2-dihydropyrazole-3-carboxylate
CID 70080135
dimethyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-phenylpyridine-2,3-dicarboxylate
CID 118411497
2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 108803564
tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11793055
tert-butyl N-(2-benzylsulfanyl-5-oxo-6-phenyl-8H-imidazo[1,2-a]pyrimidin-7-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 134942993

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 11682805) is tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c(N)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is STRPWWIBXIXFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-19(2,3)28-17(26)24(18(27)29-20(4,5)6)15-13(21)14(22-23-16(15)25)12-10-8-7-9-11-12/h7-11H,1-6H3,(H3,21,23,25).
What are the key properties of tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 402.45 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-6-oxo-3-phenyl-1H-pyridazin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 11682805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).