3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one

C15H24N4O — CID 63765664

IUPAC3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one
SMILESNCCN(c1nccn(C2CC2)c1=O)C1CCCCC1
InChIInChI=1S/C15H24N4O/c16-8-10-18(12-4-2-1-3-5-12)14-15(20)19(11-9-17-14)13-6-7-13/h9,11-13H,1-8,10,16H2
InChIKeyWGEHXMNYZYYDJT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds5

About 3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one

3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one (PubChem CID 63765664) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one
PubChem CID63765664
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one
SMILESNCCN(c1nccn(C2CC2)c1=O)C1CCCCC1
InChIInChI=1S/C15H24N4O/c16-8-10-18(12-4-2-1-3-5-12)14-15(20)19(11-9-17-14)13-6-7-13/h9,11-13H,1-8,10,16H2
InChIKeyWGEHXMNYZYYDJT-UHFFFAOYSA-N
XLogP1.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one (CID 63765664) is 3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one is NCCN(c1nccn(C2CC2)c1=O)C1CCCCC1.
What is the InChIKey of 3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one?
The InChIKey is WGEHXMNYZYYDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c16-8-10-18(12-4-2-1-3-5-12)14-15(20)19(11-9-17-14)13-6-7-13/h9,11-13H,1-8,10,16H2.
What are the key properties of 3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one?
3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(cyclohexyl)amino]-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 63765664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).