(2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol

C10H16ClN3O — CID 143791055

IUPAC(2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@H](CO)Nc1ccc(Cl)nn1
InChIInChI=1S/C10H16ClN3O/c1-10(2,3)7(6-15)12-9-5-4-8(11)13-14-9/h4-5,7,15H,6H2,1-3H3,(H,12,14)/t7-/m0/s1
InChIKeyOXSAYJSLTOWRGA-ZETCQYMHSA-N
MW229.71 g/mol
LogP1.95
Rot. Bonds3

About (2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol

(2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 143791055) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is (2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID143791055
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name(2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@H](CO)Nc1ccc(Cl)nn1
InChIInChI=1S/C10H16ClN3O/c1-10(2,3)7(6-15)12-9-5-4-8(11)13-14-9/h4-5,7,15H,6H2,1-3H3,(H,12,14)/t7-/m0/s1
InChIKeyOXSAYJSLTOWRGA-ZETCQYMHSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of (2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol (CID 143791055) is (2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for (2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol is CC(C)(C)[C@H](CO)Nc1ccc(Cl)nn1.
What is the InChIKey of (2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is OXSAYJSLTOWRGA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-10(2,3)7(6-15)12-9-5-4-8(11)13-14-9/h4-5,7,15H,6H2,1-3H3,(H,12,14)/t7-/m0/s1.
What are the key properties of (2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol?
(2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 229.71 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-chloropyridazin-3-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 143791055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).