ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine

C10H17F3N4 — CID 145415886

IUPACethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine
SMILESCC.Cc1nc(C(F)(F)F)n2c1CN(N)CC2
InChIInChI=1S/C8H11F3N4.C2H6/c1-5-6-4-14(12)2-3-15(6)7(13-5)8(9,10)11;1-2/h2-4,12H2,1H3;1-2H3
InChIKeyYOVMPCLBGXBNPY-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.93
Rot. Bonds

About ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine

ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine (PubChem CID 145415886) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine.

Molecular Properties

Compound Nameethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine
PubChem CID145415886
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Nameethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine
SMILESCC.Cc1nc(C(F)(F)F)n2c1CN(N)CC2
InChIInChI=1S/C8H11F3N4.C2H6/c1-5-6-4-14(12)2-3-15(6)7(13-5)8(9,10)11;1-2/h2-4,12H2,1H3;1-2H3
InChIKeyYOVMPCLBGXBNPY-UHFFFAOYSA-N
XLogP1.93
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine?
The IUPAC name of ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine (CID 145415886) is ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine.
What is the SMILES notation for ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine?
The canonical SMILES for ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine is CC.Cc1nc(C(F)(F)F)n2c1CN(N)CC2.
What is the InChIKey of ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine?
The InChIKey is YOVMPCLBGXBNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4.C2H6/c1-5-6-4-14(12)2-3-15(6)7(13-5)8(9,10)11;1-2/h2-4,12H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine?
ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine has a molecular weight of 250.27 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-amine is sourced from PubChem (CID 145415886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).