2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol

C10H17N3O — CID 62518168

IUPAC2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol
SMILESCCC(CC)(CO)Nc1cccnn1
InChIInChI=1S/C10H17N3O/c1-3-10(4-2,8-14)12-9-6-5-7-11-13-9/h5-7,14H,3-4,8H2,1-2H3,(H,12,13)
InChIKeyGXLQVQVMIHMPIN-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.44
Rot. Bonds5

About 2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol

2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol (PubChem CID 62518168) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol
PubChem CID62518168
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol
SMILESCCC(CC)(CO)Nc1cccnn1
InChIInChI=1S/C10H17N3O/c1-3-10(4-2,8-14)12-9-6-5-7-11-13-9/h5-7,14H,3-4,8H2,1-2H3,(H,12,13)
InChIKeyGXLQVQVMIHMPIN-UHFFFAOYSA-N
XLogP1.44
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol (CID 62518168) is 2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol is CCC(CC)(CO)Nc1cccnn1.
What is the InChIKey of 2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol?
The InChIKey is GXLQVQVMIHMPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-10(4-2,8-14)12-9-6-5-7-11-13-9/h5-7,14H,3-4,8H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol?
2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol has a molecular weight of 195.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(pyridazin-3-ylamino)butan-1-ol is sourced from PubChem (CID 62518168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).