1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C9H12F2N6 — CID 62119193

IUPAC1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCn1cnnc1CNCc1nccn1C(F)F
InChIInChI=1S/C9H12F2N6/c1-16-6-14-15-8(16)5-12-4-7-13-2-3-17(7)9(10)11/h2-3,6,9,12H,4-5H2,1H3
InChIKeyXLVQTQOABQZTNN-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.70
Rot. Bonds5

About 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 62119193) has the molecular formula C9H12F2N6 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID62119193
Molecular FormulaC9H12F2N6
Molecular Weight242.23 g/mol
Exact Mass242.11
IUPAC Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCn1cnnc1CNCc1nccn1C(F)F
InChIInChI=1S/C9H12F2N6/c1-16-6-14-15-8(16)5-12-4-7-13-2-3-17(7)9(10)11/h2-3,6,9,12H,4-5H2,1H3
InChIKeyXLVQTQOABQZTNN-UHFFFAOYSA-N
XLogP0.70
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 62119193) is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cn1cnnc1CNCc1nccn1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is XLVQTQOABQZTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N6/c1-16-6-14-15-8(16)5-12-4-7-13-2-3-17(7)9(10)11/h2-3,6,9,12H,4-5H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 242.23 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 62119193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).