N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide

C9H15N3O — CID 129060184

IUPACN-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1C=NC(C)=CN1
InChIInChI=1S/C9H15N3O/c1-3-9(13)12-6-8-5-10-7(2)4-11-8/h4-5,8,11H,3,6H2,1-2H3,(H,12,13)
InChIKeyHQKCRYZGJUUUFC-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.42
Rot. Bonds3

About N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide

N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide (PubChem CID 129060184) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide
PubChem CID129060184
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1C=NC(C)=CN1
InChIInChI=1S/C9H15N3O/c1-3-9(13)12-6-8-5-10-7(2)4-11-8/h4-5,8,11H,3,6H2,1-2H3,(H,12,13)
InChIKeyHQKCRYZGJUUUFC-UHFFFAOYSA-N
XLogP0.42
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide?
The IUPAC name of N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide (CID 129060184) is N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide is CCC(=O)NCC1C=NC(C)=CN1.
What is the InChIKey of N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide?
The InChIKey is HQKCRYZGJUUUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-9(13)12-6-8-5-10-7(2)4-11-8/h4-5,8,11H,3,6H2,1-2H3,(H,12,13).
What are the key properties of N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide?
N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 129060184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).