N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide

C9H14N4O3 — CID 170829575

IUPACN-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C9H14N4O3/c1-5(14)11-4-7(15)9(16)6-2-3-8(10)13-12-6/h2-3,7,9,15-16H,4H2,1H3,(H2,10,13)(H,11,14)
InChIKeyRMBWPEWMEHDCLN-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.41
Rot. Bonds4

About N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide

N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829575) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829575
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC NameN-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C9H14N4O3/c1-5(14)11-4-7(15)9(16)6-2-3-8(10)13-12-6/h2-3,7,9,15-16H,4H2,1H3,(H2,10,13)(H,11,14)
InChIKeyRMBWPEWMEHDCLN-UHFFFAOYSA-N
XLogP-1.41
TPSA121.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-Amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 155461850
(1S)-1-(6-aminopyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 168167444
(1R)-1-(6-aminopyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 172113654
1-[[6-(Hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol
CID 130660426
1-(6-Aminopyridazin-3-yl)propane-1,2,3-triol
CID 170817391
1-(6-Aminopyridazin-3-yl)-3-azidopropane-1,2-diol
CID 170825539
3-Amino-1-(6-aminopyridazin-3-yl)propane-1,2-diol
CID 170827583
N-[2,3-dihydroxy-3-(6-methylpyridazin-3-yl)propyl]acetamide
CID 170829510
N-[3-(6-chloropyridazin-3-yl)-2,3-dihydroxypropyl]acetamide
CID 170831110
tert-butyl N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170831632
3-(Methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol
CID 171857418
1-(6-Aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol
CID 171857483

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide (CID 170829575) is N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ccc(N)nn1.
What is the InChIKey of N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is RMBWPEWMEHDCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5(14)11-4-7(15)9(16)6-2-3-8(10)13-12-6/h2-3,7,9,15-16H,4H2,1H3,(H2,10,13)(H,11,14).
What are the key properties of N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide?
N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 226.24 g/mol, XLogP of -1.41, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-aminopyridazin-3-yl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).