1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol

C9H14ClN3O — CID 155284663

IUPAC1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol
SMILESCc1cc(NCC(C)(C)O)nnc1Cl
InChIInChI=1S/C9H14ClN3O/c1-6-4-7(12-13-8(6)10)11-5-9(2,3)14/h4,14H,5H2,1-3H3,(H,11,12)
InChIKeyHIWTXDOLENGDNC-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.62
Rot. Bonds3

About 1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol

1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol (PubChem CID 155284663) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol
PubChem CID155284663
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol
SMILESCc1cc(NCC(C)(C)O)nnc1Cl
InChIInChI=1S/C9H14ClN3O/c1-6-4-7(12-13-8(6)10)11-5-9(2,3)14/h4,14H,5H2,1-3H3,(H,11,12)
InChIKeyHIWTXDOLENGDNC-UHFFFAOYSA-N
XLogP1.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol (CID 155284663) is 1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol is Cc1cc(NCC(C)(C)O)nnc1Cl.
What is the InChIKey of 1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol?
The InChIKey is HIWTXDOLENGDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6-4-7(12-13-8(6)10)11-5-9(2,3)14/h4,14H,5H2,1-3H3,(H,11,12).
What are the key properties of 1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol?
1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol has a molecular weight of 215.68 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-5-methylpyridazin-3-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 155284663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).