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

C4H5F3N4 — CID 12774391

IUPAC2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESCn1nc(C(F)(F)F)nc1N
InChIInChI=1S/C4H5F3N4/c1-11-3(8)9-2(10-11)4(5,6)7/h1H3,(H2,8,9,10)
InChIKeyYHZGCMQWEKYCGW-UHFFFAOYSA-N
MW166.11 g/mol
LogP0.42
Rot. Bonds

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

2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine (PubChem CID 12774391) has the molecular formula C4H5F3N4 and a molecular weight of 166.11 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
PubChem CID12774391
Molecular FormulaC4H5F3N4
Molecular Weight166.11 g/mol
Exact Mass166.05
IUPAC Name2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESCn1nc(C(F)(F)F)nc1N
InChIInChI=1S/C4H5F3N4/c1-11-3(8)9-2(10-11)4(5,6)7/h1H3,(H2,8,9,10)
InChIKeyYHZGCMQWEKYCGW-UHFFFAOYSA-N
XLogP0.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine (CID 12774391) is 2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine is Cn1nc(C(F)(F)F)nc1N.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The InChIKey is YHZGCMQWEKYCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N4/c1-11-3(8)9-2(10-11)4(5,6)7/h1H3,(H2,8,9,10).
What are the key properties of 2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine has a molecular weight of 166.11 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 12774391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).