3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one

C14H24N4O — CID 62928309

IUPAC3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCCNC2CC2)c1=O
InChIInChI=1S/C14H24N4O/c1-11(2)10-18-9-8-17-13(14(18)19)16-7-3-6-15-12-4-5-12/h8-9,11-12,15H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyUWWQMIGVNGMBCB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.45
Rot. Bonds8

About 3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62928309) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62928309
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCCNC2CC2)c1=O
InChIInChI=1S/C14H24N4O/c1-11(2)10-18-9-8-17-13(14(18)19)16-7-3-6-15-12-4-5-12/h8-9,11-12,15H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyUWWQMIGVNGMBCB-UHFFFAOYSA-N
XLogP1.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 79394717
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
1-(2-methylpropyl)-3-(3-methylsulfonylpropylamino)pyrazin-2-one
CID 55157563
3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62928664
3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156990
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 104695867
3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 103888844

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 62928309) is 3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCCCNC2CC2)c1=O.
What is the InChIKey of 3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is UWWQMIGVNGMBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)10-18-9-8-17-13(14(18)19)16-7-3-6-15-12-4-5-12/h8-9,11-12,15H,3-7,10H2,1-2H3,(H,16,17).
What are the key properties of 3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62928309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).