1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol

C7H8F3N3O — CID 103702578

IUPAC1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol
SMILESOC(CNc1cccnn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5(14)4-11-6-2-1-3-12-13-6/h1-3,5,14H,4H2,(H,11,13)
InChIKeyPMVSXAUEBOBUCV-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.81
Rot. Bonds3

About 1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol

1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol (PubChem CID 103702578) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol
PubChem CID103702578
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol
SMILESOC(CNc1cccnn1)C(F)(F)F
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5(14)4-11-6-2-1-3-12-13-6/h1-3,5,14H,4H2,(H,11,13)
InChIKeyPMVSXAUEBOBUCV-UHFFFAOYSA-N
XLogP0.81
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-methyl-4-(pyridazin-3-ylamino)butan-2-ol
CID 176652809
2-hydroxy-3-(pyridazin-3-ylamino)propanamide
CID 106170861
1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 113228906
N-(2-methylsulfinylpropyl)pyridazin-3-amine
CID 115764208
1-(pyridazin-3-ylamino)pentan-3-ol
CID 115702161
2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridine-3-carboxamide
CID 113227750
3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 114093691
1-cyclopropyl-N'-pyridazin-3-ylethane-1,2-diamine
CID 63759108
N-(2-chloro-2-cyclopropylethyl)pyridazin-3-amine
CID 65033709
1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol
CID 113224700
N-pyridazin-3-ylpyridazin-3-amine
CID 90728152
2-[2-(pyridazin-3-ylamino)ethyl]guanidine
CID 130785372

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol (CID 103702578) is 1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol is OC(CNc1cccnn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol?
The InChIKey is PMVSXAUEBOBUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)5(14)4-11-6-2-1-3-12-13-6/h1-3,5,14H,4H2,(H,11,13).
What are the key properties of 1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol has a molecular weight of 207.16 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(pyridazin-3-ylamino)propan-2-ol is sourced from PubChem (CID 103702578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).