N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine

C10H10F2N4 — CID 75523965

IUPACN-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1ncnc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N4/c1-16-10(14-6-15-16)13-5-7-2-8(11)4-9(12)3-7/h2-4,6H,5H2,1H3,(H,13,14,15)
InChIKeyHJLDPKOUPWDERW-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.71
Rot. Bonds3

About N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine

N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 75523965) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID75523965
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCn1ncnc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C10H10F2N4/c1-16-10(14-6-15-16)13-5-7-2-8(11)4-9(12)3-7/h2-4,6H,5H2,1H3,(H,13,14,15)
InChIKeyHJLDPKOUPWDERW-UHFFFAOYSA-N
XLogP1.71
TPSA42.74 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine (CID 75523965) is N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine is Cn1ncnc1NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is HJLDPKOUPWDERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-16-10(14-6-15-16)13-5-7-2-8(11)4-9(12)3-7/h2-4,6H,5H2,1H3,(H,13,14,15).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine?
N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 224.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 75523965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).