4-methyl-1-pyrazin-2-ylpentan-1-one

C10H14N2O — CID 62620603

IUPAC4-methyl-1-pyrazin-2-ylpentan-1-one
SMILESCC(C)CCC(=O)c1cnccn1
InChIInChI=1S/C10H14N2O/c1-8(2)3-4-10(13)9-7-11-5-6-12-9/h5-8H,3-4H2,1-2H3
InChIKeySYRPEGSOYCLCEB-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.10
Rot. Bonds4

About 4-methyl-1-pyrazin-2-ylpentan-1-one

4-methyl-1-pyrazin-2-ylpentan-1-one (PubChem CID 62620603) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-methyl-1-pyrazin-2-ylpentan-1-one.

Molecular Properties

Compound Name4-methyl-1-pyrazin-2-ylpentan-1-one
PubChem CID62620603
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-methyl-1-pyrazin-2-ylpentan-1-one
SMILESCC(C)CCC(=O)c1cnccn1
InChIInChI=1S/C10H14N2O/c1-8(2)3-4-10(13)9-7-11-5-6-12-9/h5-8H,3-4H2,1-2H3
InChIKeySYRPEGSOYCLCEB-UHFFFAOYSA-N
XLogP2.10
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-4-methyl-1-pyrazin-2-ylpentan-1-one
CID 116607604
5-amino-1-pyrazin-2-ylhexan-1-one
CID 116610178
1-pyrazin-2-ylhexan-1-one
CID 22507174
2-(2-methylpropylsulfanyl)-1-pyrazin-2-ylethanone
CID 65135320
4-amino-1-pyrazin-2-ylbutan-1-one
CID 116553317
4-methoxy-1-pyrazin-2-ylbutan-1-one
CID 62620232
4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one
CID 65098159
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
7-amino-1-pyrazin-2-ylheptan-1-one
CID 116551534
2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone
CID 65136340
3-methyl-1-pyrazin-2-ylbut-3-en-1-one
CID 79177346
3-(2,2-difluoroethoxy)-1-pyrazin-2-ylpropan-1-one
CID 103147034

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrazin-2-ylpentan-1-one?
The IUPAC name of 4-methyl-1-pyrazin-2-ylpentan-1-one (CID 62620603) is 4-methyl-1-pyrazin-2-ylpentan-1-one.
What is the SMILES notation for 4-methyl-1-pyrazin-2-ylpentan-1-one?
The canonical SMILES for 4-methyl-1-pyrazin-2-ylpentan-1-one is CC(C)CCC(=O)c1cnccn1.
What is the InChIKey of 4-methyl-1-pyrazin-2-ylpentan-1-one?
The InChIKey is SYRPEGSOYCLCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2)3-4-10(13)9-7-11-5-6-12-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-methyl-1-pyrazin-2-ylpentan-1-one?
4-methyl-1-pyrazin-2-ylpentan-1-one has a molecular weight of 178.24 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrazin-2-ylpentan-1-one is sourced from PubChem (CID 62620603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).