tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate

C12H20N4O4 — CID 170831632

IUPACtert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C12H20N4O4/c1-12(2,3)20-11(19)14-6-8(17)10(18)7-4-5-9(13)16-15-7/h4-5,8,10,17-18H,6H2,1-3H3,(H2,13,16)(H,14,19)
InChIKeyADRIGYXZIQCQFI-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.02
Rot. Bonds4

About tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate

tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170831632) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID170831632
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Nametert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C12H20N4O4/c1-12(2,3)20-11(19)14-6-8(17)10(18)7-4-5-9(13)16-15-7/h4-5,8,10,17-18H,6H2,1-3H3,(H2,13,16)(H,14,19)
InChIKeyADRIGYXZIQCQFI-UHFFFAOYSA-N
XLogP-0.02
TPSA130.59 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate (CID 170831632) is tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate is CC(C)(C)OC(=O)NCC(O)C(O)c1ccc(N)nn1.
What is the InChIKey of tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is ADRIGYXZIQCQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-12(2,3)20-11(19)14-6-8(17)10(18)7-4-5-9(13)16-15-7/h4-5,8,10,17-18H,6H2,1-3H3,(H2,13,16)(H,14,19).
What are the key properties of tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 284.32 g/mol, XLogP of -0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170831632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).