5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine

C9H11F3N4 — CID 106214727

IUPAC5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(NC2(C(F)(F)F)CC2)nc1C
InChIInChI=1S/C9H11F3N4/c1-5-6(2)15-16-7(13-5)14-8(3-4-8)9(10,11)12/h3-4H2,1-2H3,(H,13,14,16)
InChIKeyDPNQVAFTSONEQB-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.00
Rot. Bonds2

About 5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine

5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine (PubChem CID 106214727) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine
PubChem CID106214727
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(NC2(C(F)(F)F)CC2)nc1C
InChIInChI=1S/C9H11F3N4/c1-5-6(2)15-16-7(13-5)14-8(3-4-8)9(10,11)12/h3-4H2,1-2H3,(H,13,14,16)
InChIKeyDPNQVAFTSONEQB-UHFFFAOYSA-N
XLogP2.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine (CID 106214727) is 5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine is Cc1nnc(NC2(C(F)(F)F)CC2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine?
The InChIKey is DPNQVAFTSONEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c1-5-6(2)15-16-7(13-5)14-8(3-4-8)9(10,11)12/h3-4H2,1-2H3,(H,13,14,16).
What are the key properties of 5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine?
5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine has a molecular weight of 232.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 106214727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).