N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide

C10H15N3O4 — CID 170829748

IUPACN-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide
SMILESCOc1ccc(C(O)C(O)CNC(C)=O)nn1
InChIInChI=1S/C10H15N3O4/c1-6(14)11-5-8(15)10(16)7-3-4-9(17-2)13-12-7/h3-4,8,10,15-16H,5H2,1-2H3,(H,11,14)
InChIKeyKWIAMABCMMBOJX-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.98
Rot. Bonds5

About N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide

N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide (PubChem CID 170829748) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide
PubChem CID170829748
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide
SMILESCOc1ccc(C(O)C(O)CNC(C)=O)nn1
InChIInChI=1S/C10H15N3O4/c1-6(14)11-5-8(15)10(16)7-3-4-9(17-2)13-12-7/h3-4,8,10,15-16H,5H2,1-2H3,(H,11,14)
InChIKeyKWIAMABCMMBOJX-UHFFFAOYSA-N
XLogP-0.98
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide (CID 170829748) is N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide is COc1ccc(C(O)C(O)CNC(C)=O)nn1.
What is the InChIKey of N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide?
The InChIKey is KWIAMABCMMBOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(14)11-5-8(15)10(16)7-3-4-9(17-2)13-12-7/h3-4,8,10,15-16H,5H2,1-2H3,(H,11,14).
What are the key properties of N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide?
N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide has a molecular weight of 241.25 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-(6-methoxypyridazin-3-yl)propyl]acetamide is sourced from PubChem (CID 170829748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).