3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one

C15H27N3O — CID 55154881

IUPAC3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)CCCC(C)C)c1=O
InChIInChI=1S/C15H27N3O/c1-5-10-18-11-9-16-14(15(18)19)17-13(4)8-6-7-12(2)3/h9,11-13H,5-8,10H2,1-4H3,(H,16,17)
InChIKeyJXDGCPRNZWCCHM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.28
Rot. Bonds8

About 3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one

3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one (PubChem CID 55154881) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one
PubChem CID55154881
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)CCCC(C)C)c1=O
InChIInChI=1S/C15H27N3O/c1-5-10-18-11-9-16-14(15(18)19)17-13(4)8-6-7-12(2)3/h9,11-13H,5-8,10H2,1-4H3,(H,16,17)
InChIKeyJXDGCPRNZWCCHM-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one?
The IUPAC name of 3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one (CID 55154881) is 3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one is CCCn1ccnc(NC(C)CCCC(C)C)c1=O.
What is the InChIKey of 3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one?
The InChIKey is JXDGCPRNZWCCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-10-18-11-9-16-14(15(18)19)17-13(4)8-6-7-12(2)3/h9,11-13H,5-8,10H2,1-4H3,(H,16,17).
What are the key properties of 3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one?
3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylheptan-2-ylamino)-1-propylpyrazin-2-one is sourced from PubChem (CID 55154881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).