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

C11H12F2N4 — CID 23575263

IUPAC1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCn1cnc(CNCc2ccc(F)cc2F)n1
InChIInChI=1S/C11H12F2N4/c1-17-7-15-11(16-17)6-14-5-8-2-3-9(12)4-10(8)13/h2-4,7,14H,5-6H2,1H3
InChIKeyQLARYUWSPNXBBW-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.38
Rot. Bonds4

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

1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 23575263) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID23575263
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCn1cnc(CNCc2ccc(F)cc2F)n1
InChIInChI=1S/C11H12F2N4/c1-17-7-15-11(16-17)6-14-5-8-2-3-9(12)4-10(8)13/h2-4,7,14H,5-6H2,1H3
InChIKeyQLARYUWSPNXBBW-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 23575263) is 1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cn1cnc(CNCc2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is QLARYUWSPNXBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-17-7-15-11(16-17)6-14-5-8-2-3-9(12)4-10(8)13/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 238.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 23575263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).