7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C9H14F2N4 — CID 165485871

IUPAC7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1nc2n(n1)C(C(F)F)CC(C)N2
InChIInChI=1S/C9H14F2N4/c1-3-7-13-9-12-5(2)4-6(8(10)11)15(9)14-7/h5-6,8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyAMMNTJSCXRSVKS-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.85
Rot. Bonds2

About 7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 165485871) has the molecular formula C9H14F2N4 and a molecular weight of 216.23 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID165485871
Molecular FormulaC9H14F2N4
Molecular Weight216.23 g/mol
Exact Mass216.12
IUPAC Name7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1nc2n(n1)C(C(F)F)CC(C)N2
InChIInChI=1S/C9H14F2N4/c1-3-7-13-9-12-5(2)4-6(8(10)11)15(9)14-7/h5-6,8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyAMMNTJSCXRSVKS-UHFFFAOYSA-N
XLogP1.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 165485871) is 7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1nc2n(n1)C(C(F)F)CC(C)N2.
What is the InChIKey of 7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is AMMNTJSCXRSVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4/c1-3-7-13-9-12-5(2)4-6(8(10)11)15(9)14-7/h5-6,8H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 216.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-ethyl-5-methyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 165485871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).