5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile

C14H17N7 — CID 124885730

IUPAC5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile
SMILESCC(C)c1nnc2n1CCN(c1cnc(C#N)cn1)[C@H]2C
InChIInChI=1S/C14H17N7/c1-9(2)13-18-19-14-10(3)20(4-5-21(13)14)12-8-16-11(6-15)7-17-12/h7-10H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyIHIIMWLLTIOFNV-JTQLQIEISA-N
MW283.34 g/mol
LogP1.64
Rot. Bonds2

About 5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile

5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile (PubChem CID 124885730) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile
PubChem CID124885730
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile
SMILESCC(C)c1nnc2n1CCN(c1cnc(C#N)cn1)[C@H]2C
InChIInChI=1S/C14H17N7/c1-9(2)13-18-19-14-10(3)20(4-5-21(13)14)12-8-16-11(6-15)7-17-12/h7-10H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyIHIIMWLLTIOFNV-JTQLQIEISA-N
XLogP1.64
TPSA83.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile 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 5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile (CID 124885730) is 5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile is CC(C)c1nnc2n1CCN(c1cnc(C#N)cn1)[C@H]2C.
What is the InChIKey of 5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile?
The InChIKey is IHIIMWLLTIOFNV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N7/c1-9(2)13-18-19-14-10(3)20(4-5-21(13)14)12-8-16-11(6-15)7-17-12/h7-10H,4-5H2,1-3H3/t10-/m0/s1.
What are the key properties of 5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile?
5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 124885730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).