tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate

C17H19N7O3 — CID 141133546

IUPACtert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate
SMILESCOc1ccc(-n2nccc2-c2cnc(NC(=O)OC(C)(C)C)cn2)nn1
InChIInChI=1S/C17H19N7O3/c1-17(2,3)27-16(25)21-13-10-18-11(9-19-13)12-7-8-20-24(12)14-5-6-15(26-4)23-22-14/h5-10H,1-4H3,(H,19,21,25)
InChIKeyHKSJTHSQLJSWIA-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.47
Rot. Bonds4

About tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate

tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate (PubChem CID 141133546) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate
PubChem CID141133546
Molecular FormulaC17H19N7O3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Nametert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate
SMILESCOc1ccc(-n2nccc2-c2cnc(NC(=O)OC(C)(C)C)cn2)nn1
InChIInChI=1S/C17H19N7O3/c1-17(2,3)27-16(25)21-13-10-18-11(9-19-13)12-7-8-20-24(12)14-5-6-15(26-4)23-22-14/h5-10H,1-4H3,(H,19,21,25)
InChIKeyHKSJTHSQLJSWIA-UHFFFAOYSA-N
XLogP2.47
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 58970574
tert-butyl N-[5-[3-(trifluoromethyl)-2-pyridinyl]pyrazin-2-yl]carbamate
CID 175983977
3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]triazole-4-carboxylic acid
CID 162377490
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
CID 103845203
tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate
CID 118045562
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
[acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate
CID 59295166
tert-butyl N-(5-ethyl-6-methoxypyrazin-2-yl)carbamate
CID 145226856
tert-butyl N-[4-[[5-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]amino]cyclohexyl]carbamate
CID 153347673

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate (CID 141133546) is tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate is COc1ccc(-n2nccc2-c2cnc(NC(=O)OC(C)(C)C)cn2)nn1.
What is the InChIKey of tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate?
The InChIKey is HKSJTHSQLJSWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-17(2,3)27-16(25)21-13-10-18-11(9-19-13)12-7-8-20-24(12)14-5-6-15(26-4)23-22-14/h5-10H,1-4H3,(H,19,21,25).
What are the key properties of tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate?
tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate has a molecular weight of 369.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[2-(6-methoxypyridazin-3-yl)pyrazol-3-yl]pyrazin-2-yl]carbamate is sourced from PubChem (CID 141133546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).