N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine

C10H10F3N5 — CID 66449178

IUPACN-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine
SMILESCNCc1cncc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H10F3N5/c1-14-4-7-5-15-6-9(16-7)18-3-2-8(17-18)10(11,12)13/h2-3,5-6,14H,4H2,1H3
InChIKeyTZMNKEOHSPALOA-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.40
Rot. Bonds3

About N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine

N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine (PubChem CID 66449178) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine
PubChem CID66449178
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC NameN-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine
SMILESCNCc1cncc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C10H10F3N5/c1-14-4-7-5-15-6-9(16-7)18-3-2-8(17-18)10(11,12)13/h2-3,5-6,14H,4H2,1H3
InChIKeyTZMNKEOHSPALOA-UHFFFAOYSA-N
XLogP1.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine (CID 66449178) is N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine is CNCc1cncc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine?
The InChIKey is TZMNKEOHSPALOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-14-4-7-5-15-6-9(16-7)18-3-2-8(17-18)10(11,12)13/h2-3,5-6,14H,4H2,1H3.
What are the key properties of N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine?
N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine has a molecular weight of 257.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methanamine is sourced from PubChem (CID 66449178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).