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

C10H17N3O — CID 129060121

IUPACN-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide
SMILESCCCC(=O)NCC1C=NC(C)=CN1
InChIInChI=1S/C10H17N3O/c1-3-4-10(14)13-7-9-6-11-8(2)5-12-9/h5-6,9,12H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyKBYVOLMWLJYHRX-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.81
Rot. Bonds4

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

N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide (PubChem CID 129060121) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide
PubChem CID129060121
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide
SMILESCCCC(=O)NCC1C=NC(C)=CN1
InChIInChI=1S/C10H17N3O/c1-3-4-10(14)13-7-9-6-11-8(2)5-12-9/h5-6,9,12H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyKBYVOLMWLJYHRX-UHFFFAOYSA-N
XLogP0.81
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.81
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]butanamide?
The IUPAC name of N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide (CID 129060121) is N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide.
What is the SMILES notation for N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide?
The canonical SMILES for N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide is CCCC(=O)NCC1C=NC(C)=CN1.
What is the InChIKey of N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide?
The InChIKey is KBYVOLMWLJYHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-10(14)13-7-9-6-11-8(2)5-12-9/h5-6,9,12H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide?
N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide has a molecular weight of 195.27 g/mol, XLogP of 0.81, 4 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]butanamide is sourced from PubChem (CID 129060121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).