N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide

C15H19F3N6O2 — CID 18110446

IUPACN'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)C(C)C
InChIInChI=1S/C15H19F3N6O2/c1-7(2)12(26)22-21-11(25)6-5-10-8(3)19-14-20-13(15(16,17)18)23-24(14)9(10)4/h7H,5-6H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyGYZVUKUTCLRFDO-UHFFFAOYSA-N
MW372.35 g/mol
LogP1.50
Rot. Bonds4

About N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide

N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide (PubChem CID 18110446) has the molecular formula C15H19F3N6O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide
PubChem CID18110446
Molecular FormulaC15H19F3N6O2
Molecular Weight372.35 g/mol
Exact Mass372.15
IUPAC NameN'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)C(C)C
InChIInChI=1S/C15H19F3N6O2/c1-7(2)12(26)22-21-11(25)6-5-10-8(3)19-14-20-13(15(16,17)18)23-24(14)9(10)4/h7H,5-6H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyGYZVUKUTCLRFDO-UHFFFAOYSA-N
XLogP1.50
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide?
The IUPAC name of N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide (CID 18110446) is N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide.
What is the SMILES notation for N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide?
The canonical SMILES for N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NNC(=O)C(C)C.
What is the InChIKey of N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide?
The InChIKey is GYZVUKUTCLRFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O2/c1-7(2)12(26)22-21-11(25)6-5-10-8(3)19-14-20-13(15(16,17)18)23-24(14)9(10)4/h7H,5-6H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide?
N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide has a molecular weight of 372.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoyl]-2-methylpropanehydrazide is sourced from PubChem (CID 18110446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).