1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine

C10H11FN4 — CID 78987307

IUPAC1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(-c2cccc(F)c2)n1
InChIInChI=1S/C10H11FN4/c1-12-6-9-7-13-15(14-9)10-4-2-3-8(11)5-10/h2-5,7,12H,6H2,1H3
InChIKeySRNVASGUUWYROI-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.13
Rot. Bonds3

About 1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine

1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine (PubChem CID 78987307) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine
PubChem CID78987307
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(-c2cccc(F)c2)n1
InChIInChI=1S/C10H11FN4/c1-12-6-9-7-13-15(14-9)10-4-2-3-8(11)5-10/h2-5,7,12H,6H2,1H3
InChIKeySRNVASGUUWYROI-UHFFFAOYSA-N
XLogP1.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine (CID 78987307) is 1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine is CNCc1cnn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
The InChIKey is SRNVASGUUWYROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-12-6-9-7-13-15(14-9)10-4-2-3-8(11)5-10/h2-5,7,12H,6H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine?
1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine has a molecular weight of 206.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 78987307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).