3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one

C11H19N3O3 — CID 66168864

IUPAC3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(C)(O)CO)c1=O
InChIInChI=1S/C11H19N3O3/c1-3-5-14-6-4-12-9(10(14)16)13-7-11(2,17)8-15/h4,6,15,17H,3,5,7-8H2,1-2H3,(H,12,13)
InChIKeyCQDPAXZVTVJVMB-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.19
Rot. Bonds6

About 3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one

3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one (PubChem CID 66168864) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
PubChem CID66168864
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(C)(O)CO)c1=O
InChIInChI=1S/C11H19N3O3/c1-3-5-14-6-4-12-9(10(14)16)13-7-11(2,17)8-15/h4,6,15,17H,3,5,7-8H2,1-2H3,(H,12,13)
InChIKeyCQDPAXZVTVJVMB-UHFFFAOYSA-N
XLogP-0.19
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one (CID 66168864) is 3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NCC(C)(O)CO)c1=O.
What is the InChIKey of 3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one?
The InChIKey is CQDPAXZVTVJVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-5-14-6-4-12-9(10(14)16)13-7-11(2,17)8-15/h4,6,15,17H,3,5,7-8H2,1-2H3,(H,12,13).
What are the key properties of 3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one?
3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one has a molecular weight of 241.29 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 66168864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).