3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one

C14H24N4O — CID 55157011

IUPAC3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one
SMILESCN(CCNC(C)(C)C)c1nccn(C2CC2)c1=O
InChIInChI=1S/C14H24N4O/c1-14(2,3)16-8-9-17(4)12-13(19)18(10-7-15-12)11-5-6-11/h7,10-11,16H,5-6,8-9H2,1-4H3
InChIKeyNMVVIQRRIJOTSC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.40
Rot. Bonds5

About 3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one

3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one (PubChem CID 55157011) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one
PubChem CID55157011
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one
SMILESCN(CCNC(C)(C)C)c1nccn(C2CC2)c1=O
InChIInChI=1S/C14H24N4O/c1-14(2,3)16-8-9-17(4)12-13(19)18(10-7-15-12)11-5-6-11/h7,10-11,16H,5-6,8-9H2,1-4H3
InChIKeyNMVVIQRRIJOTSC-UHFFFAOYSA-N
XLogP1.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one (CID 55157011) is 3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one is CN(CCNC(C)(C)C)c1nccn(C2CC2)c1=O.
What is the InChIKey of 3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one?
The InChIKey is NMVVIQRRIJOTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)16-8-9-17(4)12-13(19)18(10-7-15-12)11-5-6-11/h7,10-11,16H,5-6,8-9H2,1-4H3.
What are the key properties of 3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one?
3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(tert-butylamino)ethyl-methylamino]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 55157011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).