3-(trifluoromethyl)-1,2,4-triazin-5-amine

C4H3F3N4 — CID 150345932

IUPAC3-(trifluoromethyl)-1,2,4-triazin-5-amine
SMILESNc1cnnc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N4/c5-4(6,7)3-10-2(8)1-9-11-3/h1H,(H2,8,10,11)
InChIKeyGSSAGVPSSXWCPO-UHFFFAOYSA-N
MW164.09 g/mol
LogP0.47
Rot. Bonds

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

3-(trifluoromethyl)-1,2,4-triazin-5-amine (PubChem CID 150345932) has the molecular formula C4H3F3N4 and a molecular weight of 164.09 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2,4-triazin-5-amine
PubChem CID150345932
Molecular FormulaC4H3F3N4
Molecular Weight164.09 g/mol
Exact Mass164.03
IUPAC Name3-(trifluoromethyl)-1,2,4-triazin-5-amine
SMILESNc1cnnc(C(F)(F)F)n1
InChIInChI=1S/C4H3F3N4/c5-4(6,7)3-10-2(8)1-9-11-3/h1H,(H2,8,10,11)
InChIKeyGSSAGVPSSXWCPO-UHFFFAOYSA-N
XLogP0.47
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.09
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-(trifluoromethyl)-1,2,4-triazin-5-amine (CID 150345932) is 3-(trifluoromethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-(trifluoromethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-(trifluoromethyl)-1,2,4-triazin-5-amine is Nc1cnnc(C(F)(F)F)n1.
What is the InChIKey of 3-(trifluoromethyl)-1,2,4-triazin-5-amine?
The InChIKey is GSSAGVPSSXWCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N4/c5-4(6,7)3-10-2(8)1-9-11-3/h1H,(H2,8,10,11).
What are the key properties of 3-(trifluoromethyl)-1,2,4-triazin-5-amine?
3-(trifluoromethyl)-1,2,4-triazin-5-amine has a molecular weight of 164.09 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 150345932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).