5-(difluoromethyl)-1-methyltriazol-4-amine

C4H6F2N4 — CID 130649173

IUPAC5-(difluoromethyl)-1-methyltriazol-4-amine
SMILESCn1nnc(N)c1C(F)F
InChIInChI=1S/C4H6F2N4/c1-10-2(3(5)6)4(7)8-9-10/h3H,7H2,1H3
InChIKeyYFOCSNKDBXQYMS-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.33
Rot. Bonds1

About 5-(difluoromethyl)-1-methyltriazol-4-amine

5-(difluoromethyl)-1-methyltriazol-4-amine (PubChem CID 130649173) has the molecular formula C4H6F2N4 and a molecular weight of 148.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-methyltriazol-4-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-1-methyltriazol-4-amine
PubChem CID130649173
Molecular FormulaC4H6F2N4
Molecular Weight148.12 g/mol
Exact Mass148.06
IUPAC Name5-(difluoromethyl)-1-methyltriazol-4-amine
SMILESCn1nnc(N)c1C(F)F
InChIInChI=1S/C4H6F2N4/c1-10-2(3(5)6)4(7)8-9-10/h3H,7H2,1H3
InChIKeyYFOCSNKDBXQYMS-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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Related Compounds

5-(difluoromethyl)-1,3-dimethylpyrazol-4-amine;hydrochloride
CID 132586028
3-methyl-5-(2-methylpropyl)triazol-4-amine
CID 83635419
(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 106464948
5-(difluoromethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methylsulfonylmethyl]triazole
CID 166373207
5-(difluoromethyl)-1-methyl-1,2,4-triazol-3-amine
CID 84731228
1-(5-bromo-3-methyltriazol-4-yl)-1-fluoro-N,2-dimethylpropan-2-amine
CID 130589747
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
1-(3-fluoropropyl)-5-methyltriazol-4-amine
CID 81110241
5-cyclohexyl-1-methyltriazol-4-amine
CID 105439082
5-propan-2-yl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79543047
3-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methylcarbamoyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 146142132
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-propan-2-yltriazol-4-amine
CID 112592592

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-methyltriazol-4-amine?
The IUPAC name of 5-(difluoromethyl)-1-methyltriazol-4-amine (CID 130649173) is 5-(difluoromethyl)-1-methyltriazol-4-amine.
What is the SMILES notation for 5-(difluoromethyl)-1-methyltriazol-4-amine?
The canonical SMILES for 5-(difluoromethyl)-1-methyltriazol-4-amine is Cn1nnc(N)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1-methyltriazol-4-amine?
The InChIKey is YFOCSNKDBXQYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N4/c1-10-2(3(5)6)4(7)8-9-10/h3H,7H2,1H3.
What are the key properties of 5-(difluoromethyl)-1-methyltriazol-4-amine?
5-(difluoromethyl)-1-methyltriazol-4-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-methyltriazol-4-amine is sourced from PubChem (CID 130649173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).