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

C10H16F2N6 — CID 136710354

IUPAC7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)C1CCNc2nc(N3CCNCC3)nn21
InChIInChI=1S/C10H16F2N6/c11-8(12)7-1-2-14-9-15-10(16-18(7)9)17-5-3-13-4-6-17/h7-8,13H,1-6H2,(H,14,15,16)
InChIKeyQXPNXAXWNXLRIP-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.31
Rot. Bonds2

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

7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136710354) has the molecular formula C10H16F2N6 and a molecular weight of 258.28 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136710354
Molecular FormulaC10H16F2N6
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Name7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)C1CCNc2nc(N3CCNCC3)nn21
InChIInChI=1S/C10H16F2N6/c11-8(12)7-1-2-14-9-15-10(16-18(7)9)17-5-3-13-4-6-17/h7-8,13H,1-6H2,(H,14,15,16)
InChIKeyQXPNXAXWNXLRIP-UHFFFAOYSA-N
XLogP0.31
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136710354) is 7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)C1CCNc2nc(N3CCNCC3)nn21.
What is the InChIKey of 7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QXPNXAXWNXLRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N6/c11-8(12)7-1-2-14-9-15-10(16-18(7)9)17-5-3-13-4-6-17/h7-8,13H,1-6H2,(H,14,15,16).
What are the key properties of 7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 258.28 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-piperazin-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136710354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).