N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide

C11H13N3O — CID 129060124

IUPACN-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide
SMILESCC#CCC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C11H13N3O/c1-3-4-5-11(15)14-8-10-7-12-9(2)6-13-10/h6-7H,5,8H2,1-2H3,(H,14,15)
InChIKeySSGIYJWTHHAZJS-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.81
Rot. Bonds3

About N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide

N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide (PubChem CID 129060124) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide
PubChem CID129060124
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide
SMILESCC#CCC(=O)NCc1cnc(C)cn1
InChIInChI=1S/C11H13N3O/c1-3-4-5-11(15)14-8-10-7-12-9(2)6-13-10/h6-7H,5,8H2,1-2H3,(H,14,15)
InChIKeySSGIYJWTHHAZJS-UHFFFAOYSA-N
XLogP0.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide 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-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide (CID 129060124) is N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide is CC#CCC(=O)NCc1cnc(C)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide?
The InChIKey is SSGIYJWTHHAZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-4-5-11(15)14-8-10-7-12-9(2)6-13-10/h6-7H,5,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide?
N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide has a molecular weight of 203.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]pent-3-ynamide is sourced from PubChem (CID 129060124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).