3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one

C12H20N4O — CID 63760150

IUPAC3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(CCN)C2CC2)c1=O
InChIInChI=1S/C12H20N4O/c1-2-7-15-9-6-14-11(12(15)17)16(8-5-13)10-3-4-10/h6,9-10H,2-5,7-8,13H2,1H3
InChIKeyLHVIDNFZTLRZSN-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.58
Rot. Bonds6

About 3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one

3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one (PubChem CID 63760150) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one
PubChem CID63760150
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N(CCN)C2CC2)c1=O
InChIInChI=1S/C12H20N4O/c1-2-7-15-9-6-14-11(12(15)17)16(8-5-13)10-3-4-10/h6,9-10H,2-5,7-8,13H2,1H3
InChIKeyLHVIDNFZTLRZSN-UHFFFAOYSA-N
XLogP0.58
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
CID 55156215
3-[cyclobutyl(3-hydroxypropyl)amino]-1-propylpyrazin-2-one
CID 102868566
3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
CID 62928019
3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one
CID 63760807
3-[(4-aminocyclohexyl)-ethylamino]-1-ethylpyrazin-2-one
CID 79111761
3-(4-aminopiperidin-1-yl)-1-propylpyrazin-2-one
CID 62939071
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
3-[2-chloroethyl(cyclobutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 102871723
3-[ethyl(2-hydroxyethyl)amino]-1-propylpyrazin-2-one
CID 62929380
3-[2-chloroethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63388884
3-[2-bromoethyl(cyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80668768
3-[azetidin-3-yl(propyl)amino]-1-methylpyrazin-2-one
CID 66216539

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one (CID 63760150) is 3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(N(CCN)C2CC2)c1=O.
What is the InChIKey of 3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one?
The InChIKey is LHVIDNFZTLRZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-7-15-9-6-14-11(12(15)17)16(8-5-13)10-3-4-10/h6,9-10H,2-5,7-8,13H2,1H3.
What are the key properties of 3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one?
3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 63760150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).