N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine

C15H14F3N7 — CID 162346980

IUPACN-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine
SMILESNCc1ccc(Cn2ccc(Nc3ncncn3)n2)c(F)c1C(F)F
InChIInChI=1S/C15H14F3N7/c16-13-10(2-1-9(5-19)12(13)14(17)18)6-25-4-3-11(24-25)23-15-21-7-20-8-22-15/h1-4,7-8,14H,5-6,19H2,(H,20,21,22,23,24)
InChIKeyQYZOYUSGNHNGKE-UHFFFAOYSA-N
MW349.32 g/mol
LogP2.40
Rot. Bonds6

About N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine

N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine (PubChem CID 162346980) has the molecular formula C15H14F3N7 and a molecular weight of 349.32 g/mol. Its IUPAC name is N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine
PubChem CID162346980
Molecular FormulaC15H14F3N7
Molecular Weight349.32 g/mol
Exact Mass349.13
IUPAC NameN-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine
SMILESNCc1ccc(Cn2ccc(Nc3ncncn3)n2)c(F)c1C(F)F
InChIInChI=1S/C15H14F3N7/c16-13-10(2-1-9(5-19)12(13)14(17)18)6-25-4-3-11(24-25)23-15-21-7-20-8-22-15/h1-4,7-8,14H,5-6,19H2,(H,20,21,22,23,24)
InChIKeyQYZOYUSGNHNGKE-UHFFFAOYSA-N
XLogP2.40
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(aminomethyl)-2-fluoro-3-methylphenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
CID 151987261
[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine
CID 102861719
5-(aminomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081680
[4-fluoro-2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
CID 64765568
1-(2,2-difluoroethyl)-N-[(2S)-3-methylbutan-2-yl]pyrazol-3-amine
CID 97338490
4-[2-fluoro-3-methyl-4-(methylaminomethyl)phenyl]-N-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
CID 170133127
N-[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 46945349
1-[(2,3-difluorophenyl)methyl]pyrazol-3-amine
CID 60783235
N-[1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-yl]-5-[1-(3-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 46945542
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428865
1-[(2-fluoro-3-methylphenyl)methyl]pyrazol-3-amine
CID 66752411
1-(2,2-difluoroethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921015

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine?
The IUPAC name of N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine (CID 162346980) is N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine is NCc1ccc(Cn2ccc(Nc3ncncn3)n2)c(F)c1C(F)F.
What is the InChIKey of N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine?
The InChIKey is QYZOYUSGNHNGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7/c16-13-10(2-1-9(5-19)12(13)14(17)18)6-25-4-3-11(24-25)23-15-21-7-20-8-22-15/h1-4,7-8,14H,5-6,19H2,(H,20,21,22,23,24).
What are the key properties of N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine?
N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine has a molecular weight of 349.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(aminomethyl)-3-(difluoromethyl)-2-fluorophenyl]methyl]pyrazol-3-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 162346980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).