3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one

C10H19N5O — CID 62922421

IUPAC3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(CCN)CCN)c1=O
InChIInChI=1S/C10H19N5O/c1-2-14-8-5-13-9(10(14)16)15(6-3-11)7-4-12/h5,8H,2-4,6-7,11-12H2,1H3
InChIKeyJWPLHEOFVVGVKB-UHFFFAOYSA-N
MW225.30 g/mol
LogP-1.01
Rot. Bonds6

About 3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one

3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one (PubChem CID 62922421) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
PubChem CID62922421
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N(CCN)CCN)c1=O
InChIInChI=1S/C10H19N5O/c1-2-14-8-5-13-9(10(14)16)15(6-3-11)7-4-12/h5,8H,2-4,6-7,11-12H2,1H3
InChIKeyJWPLHEOFVVGVKB-UHFFFAOYSA-N
XLogP-1.01
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
3-[2-aminoethyl(butyl)amino]-1-propylpyrazin-2-one
CID 62928019
3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one
CID 80673737
3-[2-aminoethyl(butyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928195
3-[2-aminoethyl(propyl)amino]-1-methylpyrazin-2-one
CID 63766845
3-[2-aminoethyl(butyl)amino]-1-methylpyrazin-2-one
CID 62940454
3-[2-bromoethyl(methyl)amino]-1-ethylpyrazin-2-one
CID 80675862
3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one
CID 62938394
3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one
CID 62969926
3-[2-aminoethyl(pentan-3-yl)amino]-1-propylpyrazin-2-one
CID 63760807
3-[2-aminoethyl(2-methoxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 113468467
3-[2-aminoethyl(cyclopropyl)amino]-1-propylpyrazin-2-one
CID 63760150

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one (CID 62922421) is 3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one is CCn1ccnc(N(CCN)CCN)c1=O.
What is the InChIKey of 3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one?
The InChIKey is JWPLHEOFVVGVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-2-14-8-5-13-9(10(14)16)15(6-3-11)7-4-12/h5,8H,2-4,6-7,11-12H2,1H3.
What are the key properties of 3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one?
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one has a molecular weight of 225.30 g/mol, XLogP of -1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62922421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).