tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C16H24ClN3O5 — CID 177000065

IUPACtert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCOc1nnc(Cl)c(C)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24ClN3O5/c1-9-10(12(23-8)19-18-11(9)17)20(13(21)24-15(2,3)4)14(22)25-16(5,6)7/h1-8H3
InChIKeyYPFVNIGOUPRORO-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.12
Rot. Bonds2

About tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 177000065) has the molecular formula C16H24ClN3O5 and a molecular weight of 373.84 g/mol. Its IUPAC name is tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID177000065
Molecular FormulaC16H24ClN3O5
Molecular Weight373.84 g/mol
Exact Mass373.14
IUPAC Nametert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCOc1nnc(Cl)c(C)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H24ClN3O5/c1-9-10(12(23-8)19-18-11(9)17)20(13(21)24-15(2,3)4)14(22)25-16(5,6)7/h1-8H3
InChIKeyYPFVNIGOUPRORO-UHFFFAOYSA-N
XLogP4.12
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate with MolForge

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Related Compounds

(6-chloro-3-methoxypyrazin-2-yl)-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 170328874
4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-bromo-6-chloro-5-fluoropyridine-3-carboxylic acid
CID 175554842
tert-butyl N-[6-(2-hydroxyethyl)-3-methoxypyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 170329086
tert-butyl N-(3,6-dichloro-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 146285398
tert-butyl N-(4-chloropyrimidin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 75529918
tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 135140582
tert-butyl N-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 118598888
tert-butyl N-[6-formyl-3-(trideuteriomethoxy)pyridazin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 177331453
tert-butyl 5-chloro-6-methoxypyridine-3-carboxylate
CID 133063146
methyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-bromothiophene-2-carboxylate
CID 57362726
tert-butyl N-[2-chloro-3-[(E)-2-ethoxyethenyl]-5-fluoro-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 177300717
tert-butyl N-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-2,3-dichlorobenzoyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 66808714

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 177000065) is tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is COc1nnc(Cl)c(C)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is YPFVNIGOUPRORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O5/c1-9-10(12(23-8)19-18-11(9)17)20(13(21)24-15(2,3)4)14(22)25-16(5,6)7/h1-8H3.
What are the key properties of tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 373.84 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-chloro-3-methoxy-5-methylpyridazin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 177000065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).