1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine

C11H12F2N4 — CID 105409610

IUPAC1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine
SMILESCNCc1ncn(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H12F2N4/c1-14-5-11-15-7-17(16-11)6-8-2-9(12)4-10(13)3-8/h2-4,7,14H,5-6H2,1H3
InChIKeyGHBPSOVLHFYZIA-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.32
Rot. Bonds4

About 1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine

1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine (PubChem CID 105409610) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine
PubChem CID105409610
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine
SMILESCNCc1ncn(Cc2cc(F)cc(F)c2)n1
InChIInChI=1S/C11H12F2N4/c1-14-5-11-15-7-17(16-11)6-8-2-9(12)4-10(13)3-8/h2-4,7,14H,5-6H2,1H3
InChIKeyGHBPSOVLHFYZIA-UHFFFAOYSA-N
XLogP1.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine (CID 105409610) is 1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine is CNCc1ncn(Cc2cc(F)cc(F)c2)n1.
What is the InChIKey of 1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine?
The InChIKey is GHBPSOVLHFYZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-14-5-11-15-7-17(16-11)6-8-2-9(12)4-10(13)3-8/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine?
1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine has a molecular weight of 238.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 105409610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).