1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol

C12H21N3O — CID 167537052

IUPAC1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol
SMILESCc1cc(C(O)CCC(C)(C)C)nnc1N
InChIInChI=1S/C12H21N3O/c1-8-7-9(14-15-11(8)13)10(16)5-6-12(2,3)4/h7,10,16H,5-6H2,1-4H3,(H2,13,15)
InChIKeyARQYSEOHURHUMJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.23
Rot. Bonds3

About 1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol

1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol (PubChem CID 167537052) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol
PubChem CID167537052
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol
SMILESCc1cc(C(O)CCC(C)(C)C)nnc1N
InChIInChI=1S/C12H21N3O/c1-8-7-9(14-15-11(8)13)10(16)5-6-12(2,3)4/h7,10,16H,5-6H2,1-4H3,(H2,13,15)
InChIKeyARQYSEOHURHUMJ-UHFFFAOYSA-N
XLogP2.23
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-Aminopyridazin-3-yl)methanol hydrochloride
CID 126797015
(6-Aminopyridazin-3-yl)methanol
CID 20557894
[6-Amino-4-(trifluoromethyl)pyridazin-3-yl]methanol
CID 170598629
Cyclopropyl-(5,6-dimethylpyridazin-3-yl)methanol
CID 89417224
2-(6-Aminopyridazin-3-yl)propan-2-ol
CID 118545170
6-(6-Amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol
CID 122544238
1-(6-Amino-5-methylpyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 155461850
(1S)-1-(6-amino-5-chloropyridazin-3-yl)-4,4-dimethylpentan-1-ol
CID 167668034
2-(6-Amino-4-methylpyridazin-3-yl)propan-2-ol
CID 170631168
(6-Amino-3-cyclopropylpyridazin-4-yl)methanol
CID 171431652
1-(3,6-Dimethylpyridazin-4-yl)-3-methylbutan-1-ol
CID 105076182
1-(3-Ethyl-6-methylpyridazin-4-yl)-3-methylbutan-1-ol
CID 105076208

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol (CID 167537052) is 1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol is Cc1cc(C(O)CCC(C)(C)C)nnc1N.
What is the InChIKey of 1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is ARQYSEOHURHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-7-9(14-15-11(8)13)10(16)5-6-12(2,3)4/h7,10,16H,5-6H2,1-4H3,(H2,13,15).
What are the key properties of 1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol?
1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-methylpyridazin-3-yl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 167537052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).