N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C23H21F3N4O2 — CID 139349366

IUPACN,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncnn3ccc(C(F)(F)F)c23)cc1
InChIInChI=1S/C23H21F3N4O2/c1-31-18-7-3-16(4-8-18)13-29(14-17-5-9-19(32-2)10-6-17)22-21-20(23(24,25)26)11-12-30(21)28-15-27-22/h3-12,15H,13-14H2,1-2H3
InChIKeyFGPDGTWGRALFGN-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.97
Rot. Bonds7

About N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 139349366) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID139349366
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncnn3ccc(C(F)(F)F)c23)cc1
InChIInChI=1S/C23H21F3N4O2/c1-31-18-7-3-16(4-8-18)13-29(14-17-5-9-19(32-2)10-6-17)22-21-20(23(24,25)26)11-12-30(21)28-15-27-22/h3-12,15H,13-14H2,1-2H3
InChIKeyFGPDGTWGRALFGN-UHFFFAOYSA-N
XLogP4.97
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 164875848
4-N,4-N-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpyrimidine-4,5-diamine
CID 146236231
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)-6-trimethylstannylpyrimidin-2-amine
CID 171756751
5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 164907964
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine
CID 71207858
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
CID 169171407
N,N-bis[(4-methoxyphenyl)methyl]-4,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 172512978
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133384216
N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine
CID 170423257

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 139349366) is N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2ncnn3ccc(C(F)(F)F)c23)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is FGPDGTWGRALFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-31-18-7-3-16(4-8-18)13-29(14-17-5-9-19(32-2)10-6-17)22-21-20(23(24,25)26)11-12-30(21)28-15-27-22/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 442.44 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 139349366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).