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

C11H16F3N5O2 — CID 142521038

IUPAC1-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESC[C@H](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)/t6-,7?,10?/m0/s1
InChIKeyBBPBFLPGPKSDLC-MLMMTNJESA-N
MW307.28 g/mol
LogP-0.48
Rot. Bonds2

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

1-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide (PubChem CID 142521038) has the molecular formula C11H16F3N5O2 and a molecular weight of 307.28 g/mol. Its IUPAC name is 1-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide.

Molecular Properties

Compound Name1-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
PubChem CID142521038
Molecular FormulaC11H16F3N5O2
Molecular Weight307.28 g/mol
Exact Mass307.13
IUPAC Name1-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide
SMILESC[C@H](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)/t6-,7?,10?/m0/s1
InChIKeyBBPBFLPGPKSDLC-MLMMTNJESA-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-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The IUPAC name of 1-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide (CID 142521038) is 1-[(2S)-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-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The canonical SMILES for 1-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide is C[C@H](C(F)(F)F)C1(C(N)=O)N=CN2CCN(C(N)=O)CC21.
What is the InChIKey of 1-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
The InChIKey is BBPBFLPGPKSDLC-MLMMTNJESA-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)/t6-,7?,10?/m0/s1.
What are the key properties of 1-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide?
1-[(2S)-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-[(2S)-1,1,1-trifluoropropan-2-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,7-dicarboxamide is sourced from PubChem (CID 142521038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).