1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide

C11H16F3N5O2 — CID 142521022

IUPAC1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESCC(C(F)(F)F)C1(C(N)=O)N=CN2CCN(C(N)=O)CC21
InChIInChI=1S/C11H16F3N5O2/c1-6(11(12,13)14)10(8(15)20)7-4-18(9(16)21)2-3-19(7)5-17-10/h5-7H,2-4H2,1H3,(H2,15,20)(H2,16,21)
InChIKeyBBPBFLPGPKSDLC-UHFFFAOYSA-N
MW307.28 g/mol
LogP-0.48
Rot. Bonds2

About 1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide

1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 142521022) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide.

Molecular Properties

Compound Name1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
PubChem CID142521022
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESCC(C(F)(F)F)C1(C(N)=O)N=CN2CCN(C(N)=O)CC21
InChIInChI=1S/C11H16F3N5O2/c1-6(11(12,13)14)10(8(15)20)7-4-18(9(16)21)2-3-19(7)5-17-10/h5-7H,2-4H2,1H3,(H2,15,20)(H2,16,21)
InChIKeyBBPBFLPGPKSDLC-UHFFFAOYSA-N
XLogP-0.48
TPSA105.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 142521022) is 1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide.
What is the SMILES notation for 1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The canonical SMILES for 1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide is CC(C(F)(F)F)C1(C(N)=O)N=CN2CCN(C(N)=O)CC21.
What is the InChIKey of 1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The InChIKey is BBPBFLPGPKSDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2/c1-6(11(12,13)14)10(8(15)20)7-4-18(9(16)21)2-3-19(7)5-17-10/h5-7H,2-4H2,1H3,(H2,15,20)(H2,16,21).
What are the key properties of 1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide has a molecular weight of 307.28 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropropan-2-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide is sourced from PubChem (CID 142521022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).