[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine

C15H15F3N4 — CID 172543034

IUPAC[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine
SMILESNCC1CN(c2ccc(C(F)(F)F)cc2)c2cccnc2N1
InChIInChI=1S/C15H15F3N4/c16-15(17,18)10-3-5-12(6-4-10)22-9-11(8-19)21-14-13(22)2-1-7-20-14/h1-7,11H,8-9,19H2,(H,20,21)
InChIKeyRWAGMWHCUTZHRE-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.99
Rot. Bonds2

About [1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine

[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine (PubChem CID 172543034) has the molecular formula C15H15F3N4 and a molecular weight of 308.31 g/mol. Its IUPAC name is [1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine
PubChem CID172543034
Molecular FormulaC15H15F3N4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine
SMILESNCC1CN(c2ccc(C(F)(F)F)cc2)c2cccnc2N1
InChIInChI=1S/C15H15F3N4/c16-15(17,18)10-3-5-12(6-4-10)22-9-11(8-19)21-14-13(22)2-1-7-20-14/h1-7,11H,8-9,19H2,(H,20,21)
InChIKeyRWAGMWHCUTZHRE-UHFFFAOYSA-N
XLogP2.99
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methyl]acetamide
CID 172543136
[4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methanamine
CID 172543042
cyclopropyl-[8-[4-(trifluoromethyl)phenyl]-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-12-yl]methanone
CID 172543236
N-[[4-methyl-1-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazin-3-yl]methyl]prop-2-enamide
CID 172543167
6-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115009784
N-[(4S,6R)-8-[4-(trifluoromethyl)phenyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl]acetamide
CID 172543149
1-methyl-3-[(4R,6R)-8-[4-(trifluoromethyl)phenyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl]urea
CID 172543072
6-[4-(trifluoromethyl)phenyl]-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 172543039
[(4S,6R)-8-[4-(trifluoromethyl)phenyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl] N-methylcarbamate
CID 172543309
7-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 121300669
1-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydrobenzo[e]indole
CID 163282297
[2-oxo-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1,5-naphthyridin-3-yl] carbamate
CID 175464851

Frequently Asked Questions

What is the IUPAC name of [1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine?
The IUPAC name of [1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine (CID 172543034) is [1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine.
What is the SMILES notation for [1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine?
The canonical SMILES for [1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine is NCC1CN(c2ccc(C(F)(F)F)cc2)c2cccnc2N1.
What is the InChIKey of [1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine?
The InChIKey is RWAGMWHCUTZHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4/c16-15(17,18)10-3-5-12(6-4-10)22-9-11(8-19)21-14-13(22)2-1-7-20-14/h1-7,11H,8-9,19H2,(H,20,21).
What are the key properties of [1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine?
[1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine has a molecular weight of 308.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-yl]methanamine is sourced from PubChem (CID 172543034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).