[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid

C9H14N4O3 — CID 170339577

IUPAC[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid
SMILESCCN(C)c1cc(NC(=O)O)nnc1CO
InChIInChI=1S/C9H14N4O3/c1-3-13(2)7-4-8(10-9(15)16)12-11-6(7)5-14/h4,14H,3,5H2,1-2H3,(H,10,12)(H,15,16)
InChIKeyBGGHUNIYWMXGCD-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.51
Rot. Bonds4

About [5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid

[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid (PubChem CID 170339577) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is [5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid.

Molecular Properties

Compound Name[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid
PubChem CID170339577
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid
SMILESCCN(C)c1cc(NC(=O)O)nnc1CO
InChIInChI=1S/C9H14N4O3/c1-3-13(2)7-4-8(10-9(15)16)12-11-6(7)5-14/h4,14H,3,5H2,1-2H3,(H,10,12)(H,15,16)
InChIKeyBGGHUNIYWMXGCD-UHFFFAOYSA-N
XLogP0.51
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid?
The IUPAC name of [5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid (CID 170339577) is [5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid.
What is the SMILES notation for [5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid?
The canonical SMILES for [5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid is CCN(C)c1cc(NC(=O)O)nnc1CO.
What is the InChIKey of [5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid?
The InChIKey is BGGHUNIYWMXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-3-13(2)7-4-8(10-9(15)16)12-11-6(7)5-14/h4,14H,3,5H2,1-2H3,(H,10,12)(H,15,16).
What are the key properties of [5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid?
[5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid has a molecular weight of 226.24 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid is sourced from PubChem (CID 170339577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).