N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine

C17H18F3N5O — CID 146200856

IUPACN-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine
SMILESCCCCc1ccc(Nc2nc3[nH]c(C(F)(F)F)nc3nc2OC)cc1
InChIInChI=1S/C17H18F3N5O/c1-3-4-5-10-6-8-11(9-7-10)21-14-15(26-2)23-13-12(22-14)24-16(25-13)17(18,19)20/h6-9H,3-5H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyXJKQUADBGRQTAO-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.47
Rot. Bonds6

About N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine

N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine (PubChem CID 146200856) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine
PubChem CID146200856
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC NameN-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine
SMILESCCCCc1ccc(Nc2nc3[nH]c(C(F)(F)F)nc3nc2OC)cc1
InChIInChI=1S/C17H18F3N5O/c1-3-4-5-10-6-8-11(9-7-10)21-14-15(26-2)23-13-12(22-14)24-16(25-13)17(18,19)20/h6-9H,3-5H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyXJKQUADBGRQTAO-UHFFFAOYSA-N
XLogP4.47
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N,6-N-diphenyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine-5,6-diamine
CID 142482705
4-N-(4-butylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80779469
4-N-(4-butylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80780181
3-(4-butylanilino)-6-methyl-4H-1,2,4-triazin-5-one
CID 135413095
4-N-(4-butylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80779326
6-N-(4-butylphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 22540135
ethyl 2-(4-butylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 2808715
N-(4-butylphenyl)-7-methoxy-2-methylquinolin-4-amine
CID 22417905
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
5-methoxy-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 1385785
2-(4-butylphenyl)-N-[4-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 46498613
4-methyl-N-(4-octylphenyl)aniline
CID 20625735

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine?
The IUPAC name of N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine (CID 146200856) is N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine.
What is the SMILES notation for N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine?
The canonical SMILES for N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine is CCCCc1ccc(Nc2nc3[nH]c(C(F)(F)F)nc3nc2OC)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine?
The InChIKey is XJKQUADBGRQTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-3-4-5-10-6-8-11(9-7-10)21-14-15(26-2)23-13-12(22-14)24-16(25-13)17(18,19)20/h6-9H,3-5H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine?
N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine has a molecular weight of 365.36 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-methoxy-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-6-amine is sourced from PubChem (CID 146200856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).