3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol

C10H15N3O — CID 130736450

IUPAC3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol
SMILESOC1CC(CCNc2cccnn2)C1
InChIInChI=1S/C10H15N3O/c14-9-6-8(7-9)3-5-11-10-2-1-4-12-13-10/h1-2,4,8-9,14H,3,5-7H2,(H,11,13)
InChIKeyPSCPWYPPHKJKME-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.05
Rot. Bonds4

About 3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol

3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol (PubChem CID 130736450) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol
PubChem CID130736450
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol
SMILESOC1CC(CCNc2cccnn2)C1
InChIInChI=1S/C10H15N3O/c14-9-6-8(7-9)3-5-11-10-2-1-4-12-13-10/h1-2,4,8-9,14H,3,5-7H2,(H,11,13)
InChIKeyPSCPWYPPHKJKME-UHFFFAOYSA-N
XLogP1.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol?
The IUPAC name of 3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol (CID 130736450) is 3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol is OC1CC(CCNc2cccnn2)C1.
What is the InChIKey of 3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol?
The InChIKey is PSCPWYPPHKJKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-9-6-8(7-9)3-5-11-10-2-1-4-12-13-10/h1-2,4,8-9,14H,3,5-7H2,(H,11,13).
What are the key properties of 3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol?
3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol has a molecular weight of 193.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyridazin-3-ylamino)ethyl]cyclobutan-1-ol is sourced from PubChem (CID 130736450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).