3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one

C14H25N3O — CID 63926929

IUPAC3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)CCC(C)C)c1=O
InChIInChI=1S/C14H25N3O/c1-5-9-17-10-8-15-13(14(17)18)16-12(4)7-6-11(2)3/h8,10-12H,5-7,9H2,1-4H3,(H,15,16)
InChIKeyYNBWJMBRKNIWHN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.89
Rot. Bonds7

About 3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one

3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one (PubChem CID 63926929) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one
PubChem CID63926929
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC(C)CCC(C)C)c1=O
InChIInChI=1S/C14H25N3O/c1-5-9-17-10-8-15-13(14(17)18)16-12(4)7-6-11(2)3/h8,10-12H,5-7,9H2,1-4H3,(H,15,16)
InChIKeyYNBWJMBRKNIWHN-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one?
The IUPAC name of 3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one (CID 63926929) is 3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one is CCCn1ccnc(NC(C)CCC(C)C)c1=O.
What is the InChIKey of 3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one?
The InChIKey is YNBWJMBRKNIWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-9-17-10-8-15-13(14(17)18)16-12(4)7-6-11(2)3/h8,10-12H,5-7,9H2,1-4H3,(H,15,16).
What are the key properties of 3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one?
3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one has a molecular weight of 251.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexan-2-ylamino)-1-propylpyrazin-2-one is sourced from PubChem (CID 63926929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).