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

C10H10F2N4 — CID 105408699

IUPAC[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncnn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N4/c11-8-1-7(2-9(12)3-8)5-16-10(4-13)14-6-15-16/h1-3,6H,4-5,13H2
InChIKeyCDNOFZZNZOBEPQ-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.06
Rot. Bonds3

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

[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 105408699) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID105408699
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncnn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N4/c11-8-1-7(2-9(12)3-8)5-16-10(4-13)14-6-15-16/h1-3,6H,4-5,13H2
InChIKeyCDNOFZZNZOBEPQ-UHFFFAOYSA-N
XLogP1.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine (CID 105408699) is [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine is NCc1ncnn1Cc1cc(F)cc(F)c1.
What is the InChIKey of [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is CDNOFZZNZOBEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c11-8-1-7(2-9(12)3-8)5-16-10(4-13)14-6-15-16/h1-3,6H,4-5,13H2.
What are the key properties of [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
[2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 224.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-difluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 105408699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).