(6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide

C10H14F3N5O — CID 163504448

IUPAC(6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@H]1Cn2nnc(C(=O)N[C@H](C)C(F)(F)F)c2CN1
InChIInChI=1S/C10H14F3N5O/c1-5-4-18-7(3-14-5)8(16-17-18)9(19)15-6(2)10(11,12)13/h5-6,14H,3-4H2,1-2H3,(H,15,19)/t5-,6+/m0/s1
InChIKeyCXKSOVKUFFVYAN-NTSWFWBYSA-N
MW277.25 g/mol
LogP0.45
Rot. Bonds2

About (6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide

(6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 163504448) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is (6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID163504448
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name(6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@H]1Cn2nnc(C(=O)N[C@H](C)C(F)(F)F)c2CN1
InChIInChI=1S/C10H14F3N5O/c1-5-4-18-7(3-14-5)8(16-17-18)9(19)15-6(2)10(11,12)13/h5-6,14H,3-4H2,1-2H3,(H,15,19)/t5-,6+/m0/s1
InChIKeyCXKSOVKUFFVYAN-NTSWFWBYSA-N
XLogP0.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide 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 (6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of (6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide (CID 163504448) is (6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for (6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for (6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide is C[C@H]1Cn2nnc(C(=O)N[C@H](C)C(F)(F)F)c2CN1.
What is the InChIKey of (6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is CXKSOVKUFFVYAN-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-5-4-18-7(3-14-5)8(16-17-18)9(19)15-6(2)10(11,12)13/h5-6,14H,3-4H2,1-2H3,(H,15,19)/t5-,6+/m0/s1.
What are the key properties of (6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide?
(6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 163504448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).