[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone

C17H23N7O2 — CID 133478952

IUPAC[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2nccn3c(C4CC4)nnc23)CC1
InChIInChI=1S/C17H23N7O2/c25-17(23-9-11-26-12-10-23)22-7-5-21(6-8-22)15-16-20-19-14(13-1-2-13)24(16)4-3-18-15/h3-4,13H,1-2,5-12H2
InChIKeyVQXXNAIWJSHZBC-UHFFFAOYSA-N
MW357.42 g/mol
LogP0.58
Rot. Bonds2

About [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 133478952) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID133478952
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2nccn3c(C4CC4)nnc23)CC1
InChIInChI=1S/C17H23N7O2/c25-17(23-9-11-26-12-10-23)22-7-5-21(6-8-22)15-16-20-19-14(13-1-2-13)24(16)4-3-18-15/h3-4,13H,1-2,5-12H2
InChIKeyVQXXNAIWJSHZBC-UHFFFAOYSA-N
XLogP0.58
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone 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 [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 133478952) is [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(c2nccn3c(C4CC4)nnc23)CC1.
What is the InChIKey of [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is VQXXNAIWJSHZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c25-17(23-9-11-26-12-10-23)22-7-5-21(6-8-22)15-16-20-19-14(13-1-2-13)24(16)4-3-18-15/h3-4,13H,1-2,5-12H2.
What are the key properties of [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 357.42 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133478952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).