1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine

C10H10F2N4 — CID 79541938

IUPAC1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1ccc(F)cc1F
InChIInChI=1S/C10H10F2N4/c1-6-10(13)14-15-16(6)5-7-2-3-8(11)4-9(7)12/h2-4H,5,13H2,1H3
InChIKeyDXTMJIRBUMEEMK-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.50
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine

1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine (PubChem CID 79541938) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine
PubChem CID79541938
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1ccc(F)cc1F
InChIInChI=1S/C10H10F2N4/c1-6-10(13)14-15-16(6)5-7-2-3-8(11)4-9(7)12/h2-4H,5,13H2,1H3
InChIKeyDXTMJIRBUMEEMK-UHFFFAOYSA-N
XLogP1.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.50
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)methyl]-5-methyltriazol-4-amine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine (CID 79541938) is 1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine is Cc1c(N)nnn1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine?
The InChIKey is DXTMJIRBUMEEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-6-10(13)14-15-16(6)5-7-2-3-8(11)4-9(7)12/h2-4H,5,13H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine?
1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine has a molecular weight of 224.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine is sourced from PubChem (CID 79541938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).