4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C8H7F3N6 — CID 114690923

IUPAC4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1nncc1-c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C8H7F3N6/c1-17-5(3-13-16-17)4-2-6(8(9,10)11)15-7(12)14-4/h2-3H,1H3,(H2,12,14,15)
InChIKeyLIUZKNSIZIKPFP-UHFFFAOYSA-N
MW244.18 g/mol
LogP0.87
Rot. Bonds1

About 4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114690923) has the molecular formula C8H7F3N6 and a molecular weight of 244.18 g/mol. Its IUPAC name is 4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114690923
Molecular FormulaC8H7F3N6
Molecular Weight244.18 g/mol
Exact Mass244.07
IUPAC Name4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1nncc1-c1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C8H7F3N6/c1-17-5(3-13-16-17)4-2-6(8(9,10)11)15-7(12)14-4/h2-3H,1H3,(H2,12,14,15)
InChIKeyLIUZKNSIZIKPFP-UHFFFAOYSA-N
XLogP0.87
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114690923) is 4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is Cn1nncc1-c1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LIUZKNSIZIKPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N6/c1-17-5(3-13-16-17)4-2-6(8(9,10)11)15-7(12)14-4/h2-3H,1H3,(H2,12,14,15).
What are the key properties of 4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 244.18 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyltriazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114690923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).