3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol

C10H16ClN3O — CID 106185543

IUPAC3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ccc(Cl)nn1
InChIInChI=1S/C10H16ClN3O/c1-9(2,10(3,4)15)12-8-6-5-7(11)13-14-8/h5-6,15H,1-4H3,(H,12,14)
InChIKeyMVCJADSEYMKEME-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.09
Rot. Bonds3

About 3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol

3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106185543) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106185543
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ccc(Cl)nn1
InChIInChI=1S/C10H16ClN3O/c1-9(2,10(3,4)15)12-8-6-5-7(11)13-14-8/h5-6,15H,1-4H3,(H,12,14)
InChIKeyMVCJADSEYMKEME-UHFFFAOYSA-N
XLogP2.09
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol (CID 106185543) is 3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1ccc(Cl)nn1.
What is the InChIKey of 3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is MVCJADSEYMKEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-9(2,10(3,4)15)12-8-6-5-7(11)13-14-8/h5-6,15H,1-4H3,(H,12,14).
What are the key properties of 3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyridazin-3-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106185543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).