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

C10H14F2N6 — CID 113239682

IUPAC1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCn1cnnc1CNCc1nccn1C(F)F
InChIInChI=1S/C10H14F2N6/c1-2-17-7-15-16-9(17)6-13-5-8-14-3-4-18(8)10(11)12/h3-4,7,10,13H,2,5-6H2,1H3
InChIKeyFLNDATBBNBYIBK-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.18
Rot. Bonds6

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

1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 113239682) has the molecular formula C10H14F2N6 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID113239682
Molecular FormulaC10H14F2N6
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCn1cnnc1CNCc1nccn1C(F)F
InChIInChI=1S/C10H14F2N6/c1-2-17-7-15-16-9(17)6-13-5-8-14-3-4-18(8)10(11)12/h3-4,7,10,13H,2,5-6H2,1H3
InChIKeyFLNDATBBNBYIBK-UHFFFAOYSA-N
XLogP1.18
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.18
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-ethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 113239682) is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine is CCn1cnnc1CNCc1nccn1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is FLNDATBBNBYIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N6/c1-2-17-7-15-16-9(17)6-13-5-8-14-3-4-18(8)10(11)12/h3-4,7,10,13H,2,5-6H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 256.26 g/mol, XLogP of 1.18, 6 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-ethyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 113239682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).