2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol

C11H16ClN3O — CID 63297547

IUPAC2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol
SMILESCc1c(Cl)nnc(NCC(O)C2CC2)c1C
InChIInChI=1S/C11H16ClN3O/c1-6-7(2)11(15-14-10(6)12)13-5-9(16)8-3-4-8/h8-9,16H,3-5H2,1-2H3,(H,13,15)
InChIKeyKKROELWLLJQBPN-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.93
Rot. Bonds4

About 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol

2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol (PubChem CID 63297547) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol
PubChem CID63297547
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol
SMILESCc1c(Cl)nnc(NCC(O)C2CC2)c1C
InChIInChI=1S/C11H16ClN3O/c1-6-7(2)11(15-14-10(6)12)13-5-9(16)8-3-4-8/h8-9,16H,3-5H2,1-2H3,(H,13,15)
InChIKeyKKROELWLLJQBPN-UHFFFAOYSA-N
XLogP1.93
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol?
The IUPAC name of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol (CID 63297547) is 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol is Cc1c(Cl)nnc(NCC(O)C2CC2)c1C.
What is the InChIKey of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol?
The InChIKey is KKROELWLLJQBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-6-7(2)11(15-14-10(6)12)13-5-9(16)8-3-4-8/h8-9,16H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol?
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol has a molecular weight of 241.72 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol is sourced from PubChem (CID 63297547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).