3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one

C11H16ClN3O — CID 106845044

IUPAC3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one
SMILESO=c1c(NCCCCCl)nccn1C1CC1
InChIInChI=1S/C11H16ClN3O/c12-5-1-2-6-13-10-11(16)15(8-7-14-10)9-3-4-9/h7-9H,1-6H2,(H,13,14)
InChIKeyUPJQVZTUAXMIQB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.01
Rot. Bonds6

About 3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one

3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one (PubChem CID 106845044) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one
PubChem CID106845044
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one
SMILESO=c1c(NCCCCCl)nccn1C1CC1
InChIInChI=1S/C11H16ClN3O/c12-5-1-2-6-13-10-11(16)15(8-7-14-10)9-3-4-9/h7-9H,1-6H2,(H,13,14)
InChIKeyUPJQVZTUAXMIQB-UHFFFAOYSA-N
XLogP2.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-(hex-5-ynylamino)pyrazin-2-one
CID 103931043
1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one
CID 115326088
3-[2-(2-chloroethoxy)ethylamino]-1-cyclopropylpyrazin-2-one
CID 65027595
1-cyclopropyl-3-(5-methylsulfanylpentylamino)pyrazin-2-one
CID 104925496
1-cyclopropyl-3-(propylamino)pyrazin-2-one
CID 62938241
3-[(4-chloro-2-methylbutyl)amino]-1-cyclopropylpyrazin-2-one
CID 66089237
1-cyclopropyl-3-[2-(trifluoromethylsulfanyl)ethylamino]pyrazin-2-one
CID 103930963
2-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]-N-ethylethanesulfonamide
CID 103931001
1-cyclopropyl-3-[2-(1-methylpiperidin-4-yl)ethylamino]pyrazin-2-one
CID 115917330
1-cyclopropyl-3-(3-methylsulfinylbutylamino)pyrazin-2-one
CID 113353769
3-[(1-chloro-2-methylbutan-2-yl)amino]-1-cyclopropylpyrazin-2-one
CID 65028809
1-cyclopropyl-3-(cyclopropylamino)pyrazin-2-one
CID 62939651

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one (CID 106845044) is 3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one is O=c1c(NCCCCCl)nccn1C1CC1.
What is the InChIKey of 3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one?
The InChIKey is UPJQVZTUAXMIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-5-1-2-6-13-10-11(16)15(8-7-14-10)9-3-4-9/h7-9H,1-6H2,(H,13,14).
What are the key properties of 3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one?
3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one has a molecular weight of 241.72 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobutylamino)-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 106845044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).