1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone

C19H28N6O — CID 164692596

IUPAC1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)cc1CC(=O)N1CCn2nc(C3CC3)nc2[C@@H]1CC(C)C
InChIInChI=1S/C19H28N6O/c1-12(2)9-16-19-20-18(14-5-6-14)22-25(19)8-7-24(16)17(26)10-15-11-23(4)21-13(15)3/h11-12,14,16H,5-10H2,1-4H3/t16-/m0/s1
InChIKeyKTDMQNVUGVCEDE-INIZCTEOSA-N
MW356.47 g/mol
LogP2.37
Rot. Bonds5

About 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone

1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone (PubChem CID 164692596) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone
PubChem CID164692596
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)cc1CC(=O)N1CCn2nc(C3CC3)nc2[C@@H]1CC(C)C
InChIInChI=1S/C19H28N6O/c1-12(2)9-16-19-20-18(14-5-6-14)22-25(19)8-7-24(16)17(26)10-15-11-23(4)21-13(15)3/h11-12,14,16H,5-10H2,1-4H3/t16-/m0/s1
InChIKeyKTDMQNVUGVCEDE-INIZCTEOSA-N
XLogP2.37
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone 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 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone (CID 164692596) is 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone is Cc1nn(C)cc1CC(=O)N1CCn2nc(C3CC3)nc2[C@@H]1CC(C)C.
What is the InChIKey of 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone?
The InChIKey is KTDMQNVUGVCEDE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N6O/c1-12(2)9-16-19-20-18(14-5-6-14)22-25(19)8-7-24(16)17(26)10-15-11-23(4)21-13(15)3/h11-12,14,16H,5-10H2,1-4H3/t16-/m0/s1.
What are the key properties of 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone?
1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone has a molecular weight of 356.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-2-cyclopropyl-8-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-2-(1,3-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 164692596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).