N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine

C10H12F3N5S — CID 126797119

IUPACN-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCN(Cc1cn(C)nn1)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H12F3N5S/c1-17(3-7-4-18(2)16-15-7)5-9-14-8(6-19-9)10(11,12)13/h4,6H,3,5H2,1-2H3
InChIKeyXINVUEPGIZGOMR-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.92
Rot. Bonds4

About N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine

N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 126797119) has the molecular formula C10H12F3N5S and a molecular weight of 291.30 g/mol. Its IUPAC name is N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID126797119
Molecular FormulaC10H12F3N5S
Molecular Weight291.30 g/mol
Exact Mass291.08
IUPAC NameN-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCN(Cc1cn(C)nn1)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H12F3N5S/c1-17(3-7-4-18(2)16-15-7)5-9-14-8(6-19-9)10(11,12)13/h4,6H,3,5H2,1-2H3
InChIKeyXINVUEPGIZGOMR-UHFFFAOYSA-N
XLogP1.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine (CID 126797119) is N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine is CN(Cc1cn(C)nn1)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is XINVUEPGIZGOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5S/c1-17(3-7-4-18(2)16-15-7)5-9-14-8(6-19-9)10(11,12)13/h4,6H,3,5H2,1-2H3.
What are the key properties of N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 291.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyltriazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 126797119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).