3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol

C12H18F3N3O — CID 102718731

IUPAC3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C12H18F3N3O/c1-3-11(19,4-2)7-17-10-6-8(12(13,14)15)5-9(16)18-10/h5-6,19H,3-4,7H2,1-2H3,(H3,16,17,18)
InChIKeySZJRNIFBHBJCJL-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.65
Rot. Bonds5

About 3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol

3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol (PubChem CID 102718731) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol
PubChem CID102718731
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C12H18F3N3O/c1-3-11(19,4-2)7-17-10-6-8(12(13,14)15)5-9(16)18-10/h5-6,19H,3-4,7H2,1-2H3,(H3,16,17,18)
InChIKeySZJRNIFBHBJCJL-UHFFFAOYSA-N
XLogP2.65
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol with MolForge

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Related Compounds

3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 106772283
3-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 114565296
1-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpentan-2-ol
CID 106294581
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 102718825
6-N-(4,4,4-trifluorobutyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719029
6-N-[(4-methylphenyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717360
6-N-[(3-methyl-2-pyridinyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718483
6-N-[(1-methylsulfanylcyclopropyl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 114117760
1-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 102718737
6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
3-[[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80937785
6-N-[(5-methylthiophen-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718258

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol (CID 102718731) is 3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol?
The InChIKey is SZJRNIFBHBJCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-11(19,4-2)7-17-10-6-8(12(13,14)15)5-9(16)18-10/h5-6,19H,3-4,7H2,1-2H3,(H3,16,17,18).
What are the key properties of 3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol?
3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol has a molecular weight of 277.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 102718731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).