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

C10H11FN4 — CID 82470255

IUPAC[4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nncn1Cc1ccc(F)cc1
InChIInChI=1S/C10H11FN4/c11-9-3-1-8(2-4-9)6-15-7-13-14-10(15)5-12/h1-4,7H,5-6,12H2
InChIKeySHTBDQJGTFGELR-UHFFFAOYSA-N
MW206.22 g/mol
LogP0.92
Rot. Bonds3

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

[4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 82470255) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID82470255
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name[4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nncn1Cc1ccc(F)cc1
InChIInChI=1S/C10H11FN4/c11-9-3-1-8(2-4-9)6-15-7-13-14-10(15)5-12/h1-4,7H,5-6,12H2
InChIKeySHTBDQJGTFGELR-UHFFFAOYSA-N
XLogP0.92
TPSA56.73 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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine (CID 82470255) is [4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine is NCc1nncn1Cc1ccc(F)cc1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is SHTBDQJGTFGELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-9-3-1-8(2-4-9)6-15-7-13-14-10(15)5-12/h1-4,7H,5-6,12H2.
What are the key properties of [4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
[4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82470255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).