1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen

C7H16N4O — CID 142923244

IUPAC1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen
SMILESCCNC(=O)NC1=NCCN=C1.[H][H].[H][H]
InChIInChI=1S/C7H12N4O.2H2/c1-2-9-7(12)11-6-5-8-3-4-10-6;;/h5H,2-4H2,1H3,(H2,9,10,11,12);2*1H
InChIKeyKLSZOOLWJHRMFS-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.28
Rot. Bonds1

About 1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen

1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen (PubChem CID 142923244) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen.

Molecular Properties

Compound Name1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen
PubChem CID142923244
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC Name1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen
SMILESCCNC(=O)NC1=NCCN=C1.[H][H].[H][H]
InChIInChI=1S/C7H12N4O.2H2/c1-2-9-7(12)11-6-5-8-3-4-10-6;;/h5H,2-4H2,1H3,(H2,9,10,11,12);2*1H
InChIKeyKLSZOOLWJHRMFS-UHFFFAOYSA-N
XLogP0.28
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen?
The IUPAC name of 1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen (CID 142923244) is 1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen.
What is the SMILES notation for 1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen?
The canonical SMILES for 1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen is CCNC(=O)NC1=NCCN=C1.[H][H].[H][H].
What is the InChIKey of 1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen?
The InChIKey is KLSZOOLWJHRMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.2H2/c1-2-9-7(12)11-6-5-8-3-4-10-6;;/h5H,2-4H2,1H3,(H2,9,10,11,12);2*1H.
What are the key properties of 1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen?
1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen has a molecular weight of 172.23 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrazin-5-yl)-3-ethylurea;molecular hydrogen is sourced from PubChem (CID 142923244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).