N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine

C17H19FN6 — CID 25453907

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCCn1nc(C)c(CNc2nncc(-c3ccccc3F)n2)c1C
InChIInChI=1S/C17H19FN6/c1-4-24-12(3)14(11(2)23-24)9-19-17-21-16(10-20-22-17)13-7-5-6-8-15(13)18/h5-8,10H,4,9H2,1-3H3,(H,19,21,22)
InChIKeyMOKRQADEDBYSHU-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.12
Rot. Bonds5

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 25453907) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID25453907
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCCn1nc(C)c(CNc2nncc(-c3ccccc3F)n2)c1C
InChIInChI=1S/C17H19FN6/c1-4-24-12(3)14(11(2)23-24)9-19-17-21-16(10-20-22-17)13-7-5-6-8-15(13)18/h5-8,10H,4,9H2,1-3H3,(H,19,21,22)
InChIKeyMOKRQADEDBYSHU-UHFFFAOYSA-N
XLogP3.12
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine
CID 42402139
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 71922084
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine
CID 71971585
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
2-[5-(2-fluorophenyl)-1,2,4-triazin-3-yl]ethanol
CID 105473582
N-[[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 114930880
N-[(4-methoxyphenyl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 30869203
5-(2-fluorophenyl)-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2,4-triazin-3-amine
CID 42532729
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114930879
N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
CID 25287488
methyl (2S)-2-[[5-(2-fluorophenyl)-1,2,4-triazin-3-yl]amino]-3-methylbutanoate
CID 25384153
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-methylphenyl)urea
CID 20964116

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine (CID 25453907) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine is CCn1nc(C)c(CNc2nncc(-c3ccccc3F)n2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is MOKRQADEDBYSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c1-4-24-12(3)14(11(2)23-24)9-19-17-21-16(10-20-22-17)13-7-5-6-8-15(13)18/h5-8,10H,4,9H2,1-3H3,(H,19,21,22).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 326.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 25453907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).