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

C10H11FN4 — CID 51051704

IUPACN-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2ccccc2F)n[nH]1
InChIInChI=1S/C10H11FN4/c1-7-13-10(15-14-7)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyWCBBSPCHGBFXNP-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.86
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine (PubChem CID 51051704) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine
PubChem CID51051704
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC NameN-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2ccccc2F)n[nH]1
InChIInChI=1S/C10H11FN4/c1-7-13-10(15-14-7)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyWCBBSPCHGBFXNP-UHFFFAOYSA-N
XLogP1.86
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine (CID 51051704) is N-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine is Cc1nc(NCc2ccccc2F)n[nH]1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine?
The InChIKey is WCBBSPCHGBFXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-7-13-10(15-14-7)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H2,12,13,14,15).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine?
N-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine has a molecular weight of 206.22 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-methyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 51051704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).