3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol

C9H14FN3O — CID 176652809

IUPAC3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol
SMILESCC(C)(O)C(F)CNc1cccnn1
InChIInChI=1S/C9H14FN3O/c1-9(2,14)7(10)6-11-8-4-3-5-12-13-8/h3-5,7,14H,6H2,1-2H3,(H,11,13)
InChIKeyXOQRTOAWSFOPGJ-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.00
Rot. Bonds4

About 3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol

3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol (PubChem CID 176652809) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol.

Molecular Properties

Compound Name3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol
PubChem CID176652809
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol
SMILESCC(C)(O)C(F)CNc1cccnn1
InChIInChI=1S/C9H14FN3O/c1-9(2,14)7(10)6-11-8-4-3-5-12-13-8/h3-5,7,14H,6H2,1-2H3,(H,11,13)
InChIKeyXOQRTOAWSFOPGJ-UHFFFAOYSA-N
XLogP1.00
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol
CID 103702578
2-hydroxy-3-(pyridazin-3-ylamino)propanamide
CID 106170861
N-(2-methylsulfinylpropyl)pyridazin-3-amine
CID 115764208
1-cyclopropyl-N'-pyridazin-3-ylethane-1,2-diamine
CID 63759108
1-(pyridazin-3-ylamino)pentan-3-ol
CID 115702161
N-(2-chloro-2-cyclopropylethyl)pyridazin-3-amine
CID 65033709
N-(2,2-dimethylbutyl)pyridazin-3-amine
CID 103462378
N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118210842
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 140896583
N-(2-methyl-2-methylsulfonylpropyl)pyridazin-3-amine
CID 79561473
N,N-dimethyl-2-(pyridazin-3-ylamino)acetamide
CID 62482830
tert-butyl N-[2-(pyridazin-3-ylamino)ethyl]carbamate
CID 115657296

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol?
The IUPAC name of 3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol (CID 176652809) is 3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol.
What is the SMILES notation for 3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol?
The canonical SMILES for 3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol is CC(C)(O)C(F)CNc1cccnn1.
What is the InChIKey of 3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol?
The InChIKey is XOQRTOAWSFOPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c1-9(2,14)7(10)6-11-8-4-3-5-12-13-8/h3-5,7,14H,6H2,1-2H3,(H,11,13).
What are the key properties of 3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol?
3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol has a molecular weight of 199.23 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol is sourced from PubChem (CID 176652809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).