N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide

C16H14N6O2 — CID 119102521

IUPACN-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide
SMILESCOc1nccn2c(CNC(=O)c3cc4ccccn4c3)nnc12
InChIInChI=1S/C16H14N6O2/c1-24-16-14-20-19-13(22(14)7-5-17-16)9-18-15(23)11-8-12-4-2-3-6-21(12)10-11/h2-8,10H,9H2,1H3,(H,18,23)
InChIKeyJAVWUZACZVUCCL-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.32
Rot. Bonds4

About N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide

N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide (PubChem CID 119102521) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide
PubChem CID119102521
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC NameN-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide
SMILESCOc1nccn2c(CNC(=O)c3cc4ccccn4c3)nnc12
InChIInChI=1S/C16H14N6O2/c1-24-16-14-20-19-13(22(14)7-5-17-16)9-18-15(23)11-8-12-4-2-3-6-21(12)10-11/h2-8,10H,9H2,1H3,(H,18,23)
InChIKeyJAVWUZACZVUCCL-UHFFFAOYSA-N
XLogP1.32
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-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 N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide?
The IUPAC name of N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide (CID 119102521) is N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide?
The canonical SMILES for N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide is COc1nccn2c(CNC(=O)c3cc4ccccn4c3)nnc12.
What is the InChIKey of N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide?
The InChIKey is JAVWUZACZVUCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-24-16-14-20-19-13(22(14)7-5-17-16)9-18-15(23)11-8-12-4-2-3-6-21(12)10-11/h2-8,10H,9H2,1H3,(H,18,23).
What are the key properties of N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide?
N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide has a molecular weight of 322.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide is sourced from PubChem (CID 119102521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).