4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol

C15H14F3N5O — CID 162514154

IUPAC4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol
SMILESC[C@@H](Nc1ncnn2cc(O)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N5O/c1-8(9-2-10(15(16,17)18)4-11(19)3-9)22-14-13-5-12(24)6-23(13)21-7-20-14/h2-8,24H,19H2,1H3,(H,20,21,22)/t8-/m1/s1
InChIKeyAWGUTODCPYEGNO-MRVPVSSYSA-N
MW337.31 g/mol
LogP3.21
Rot. Bonds3

About 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol

4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol (PubChem CID 162514154) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol.

Molecular Properties

Compound Name4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol
PubChem CID162514154
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol
SMILESC[C@@H](Nc1ncnn2cc(O)cc12)c1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3N5O/c1-8(9-2-10(15(16,17)18)4-11(19)3-9)22-14-13-5-12(24)6-23(13)21-7-20-14/h2-8,24H,19H2,1H3,(H,20,21,22)/t8-/m1/s1
InChIKeyAWGUTODCPYEGNO-MRVPVSSYSA-N
XLogP3.21
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9794758
2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9859850
2-Methyl-5-(6-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 10131256
2-[4-(Trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 68775801
2-[6-(Methylamino) imidazo[1,2-b]pyridazin-3-yl]phenol
CID 136282900
4-[2-([1,2,4]Triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol
CID 90671747
4-({5-Methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl}amino)phenol
CID 11222877
2-[difluoro-(4-fluorophenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol
CID 58494437
2-[[4-(Trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 59612597
2-[[3-(Trifluoromethyl)phenyl]amino][1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 67188562
5-[[1-(3,5-Difluorophenyl)-1,2,4-triazol-3-yl]amino]-6-methylpyridin-3-ol
CID 134589505
2-[7-(3-Fluoro-2-hydroxyphenyl)imidazo[1,5-b]pyridazin-5-yl]pyridin-3-ol
CID 155115058

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol?
The IUPAC name of 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol (CID 162514154) is 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol.
What is the SMILES notation for 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol?
The canonical SMILES for 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol is C[C@@H](Nc1ncnn2cc(O)cc12)c1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol?
The InChIKey is AWGUTODCPYEGNO-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-8(9-2-10(15(16,17)18)4-11(19)3-9)22-14-13-5-12(24)6-23(13)21-7-20-14/h2-8,24H,19H2,1H3,(H,20,21,22)/t8-/m1/s1.
What are the key properties of 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol?
4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol has a molecular weight of 337.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-6-ol is sourced from PubChem (CID 162514154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).