2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol

C8H11F2N3O — CID 106172005

IUPAC2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol
SMILESCc1cnnc(NCC(F)(F)CO)c1
InChIInChI=1S/C8H11F2N3O/c1-6-2-7(13-12-3-6)11-4-8(9,10)5-14/h2-3,14H,4-5H2,1H3,(H,11,13)
InChIKeyDLEFTHGGEQPGAM-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.82
Rot. Bonds4

About 2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol

2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol (PubChem CID 106172005) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol
PubChem CID106172005
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol
SMILESCc1cnnc(NCC(F)(F)CO)c1
InChIInChI=1S/C8H11F2N3O/c1-6-2-7(13-12-3-6)11-4-8(9,10)5-14/h2-3,14H,4-5H2,1H3,(H,11,13)
InChIKeyDLEFTHGGEQPGAM-UHFFFAOYSA-N
XLogP0.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-3-[(4-methyl-2-pyridinyl)amino]propan-1-ol
CID 104858561
N-(2,2-difluoroethyl)-5-methylpyridazin-3-amine
CID 106549890
N-(2,2-dimethylheptyl)-5-methylpyridazin-3-amine
CID 106549868
[4-[[(5-methylpyridazin-3-yl)amino]methyl]phenyl]methanol
CID 107232489
2,2-difluoro-3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179435
N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide
CID 106549887
N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106550243
5-methyl-N-(3-methylbut-3-enyl)pyridazin-3-amine
CID 130908778
[1-[[(5-methylpyridazin-3-yl)amino]methyl]cyclopentyl]methanol
CID 106549888
[2-[[(5-methylpyridazin-3-yl)amino]methyl]cyclopentyl]methanol
CID 106549836
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
2,2-difluoro-3-(pyrazin-2-ylamino)propan-1-ol
CID 104858515

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol (CID 106172005) is 2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol is Cc1cnnc(NCC(F)(F)CO)c1.
What is the InChIKey of 2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol?
The InChIKey is DLEFTHGGEQPGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-6-2-7(13-12-3-6)11-4-8(9,10)5-14/h2-3,14H,4-5H2,1H3,(H,11,13).
What are the key properties of 2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol?
2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol has a molecular weight of 203.19 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(5-methylpyridazin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 106172005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).