5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine

C4H6F2N4 — CID 84731228

IUPAC5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(N)nc1C(F)F
InChIInChI=1S/C4H6F2N4/c1-10-3(2(5)6)8-4(7)9-10/h2H,1H3,(H2,7,9)
InChIKeyBERGHRZQDARFCD-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.33
Rot. Bonds1

About 5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine

5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine (PubChem CID 84731228) has the molecular formula C4H6F2N4 and a molecular weight of 148.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine
PubChem CID84731228
Molecular FormulaC4H6F2N4
Molecular Weight148.12 g/mol
Exact Mass148.06
IUPAC Name5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(N)nc1C(F)F
InChIInChI=1S/C4H6F2N4/c1-10-3(2(5)6)8-4(7)9-10/h2H,1H3,(H2,7,9)
InChIKeyBERGHRZQDARFCD-UHFFFAOYSA-N
XLogP0.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine (CID 84731228) is 5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine is Cn1nc(N)nc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine?
The InChIKey is BERGHRZQDARFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N4/c1-10-3(2(5)6)8-4(7)9-10/h2H,1H3,(H2,7,9).
What are the key properties of 5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine?
5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine has a molecular weight of 148.12 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 84731228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).