3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol

C11H16F3N3O — CID 106748077

IUPAC3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol
SMILESCCC(CCO)Nc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C11H16F3N3O/c1-2-7(3-4-18)17-9-5-10(11(12,13)14)16-6-8(9)15/h5-7,18H,2-4,15H2,1H3,(H,16,17)
InChIKeyQOWWBXUFRBJNFZ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.26
Rot. Bonds5

About 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol

3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol (PubChem CID 106748077) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol
PubChem CID106748077
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol
SMILESCCC(CCO)Nc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C11H16F3N3O/c1-2-7(3-4-18)17-9-5-10(11(12,13)14)16-6-8(9)15/h5-7,18H,2-4,15H2,1H3,(H,16,17)
InChIKeyQOWWBXUFRBJNFZ-UHFFFAOYSA-N
XLogP2.26
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol
CID 106749647
4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747145
4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol
CID 106748001
5-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106141475
4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747467
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106748056
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 113240572
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747303
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 114565912

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol (CID 106748077) is 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol is CCC(CCO)Nc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol?
The InChIKey is QOWWBXUFRBJNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-2-7(3-4-18)17-9-5-10(11(12,13)14)16-6-8(9)15/h5-7,18H,2-4,15H2,1H3,(H,16,17).
What are the key properties of 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol?
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 106748077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).