ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide

C9H17N3O — CID 167447575

IUPACethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide
SMILESCC.CCNC(=O)C1=CNCC=N1
InChIInChI=1S/C7H11N3O.C2H6/c1-2-9-7(11)6-5-8-3-4-10-6;1-2/h4-5,8H,2-3H2,1H3,(H,9,11);1-2H3
InChIKeyHQEWJUCPMDRDPO-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.66
Rot. Bonds2

About ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide

ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide (PubChem CID 167447575) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide.

Molecular Properties

Compound Nameethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide
PubChem CID167447575
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Nameethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide
SMILESCC.CCNC(=O)C1=CNCC=N1
InChIInChI=1S/C7H11N3O.C2H6/c1-2-9-7(11)6-5-8-3-4-10-6;1-2/h4-5,8H,2-3H2,1H3,(H,9,11);1-2H3
InChIKeyHQEWJUCPMDRDPO-UHFFFAOYSA-N
XLogP0.66
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide?
The IUPAC name of ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide (CID 167447575) is ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide.
What is the SMILES notation for ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide?
The canonical SMILES for ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide is CC.CCNC(=O)C1=CNCC=N1.
What is the InChIKey of ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide?
The InChIKey is HQEWJUCPMDRDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.C2H6/c1-2-9-7(11)6-5-8-3-4-10-6;1-2/h4-5,8H,2-3H2,1H3,(H,9,11);1-2H3.
What are the key properties of ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide?
ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-1,2-dihydropyrazine-5-carboxamide is sourced from PubChem (CID 167447575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).