ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde

C10H20N4O — CID 143834103

IUPACethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde
SMILESCC.CN.O=Cc1cn2c(n1)CNCC2
InChIInChI=1S/C7H9N3O.C2H6.CH5N/c11-5-6-4-10-2-1-8-3-7(10)9-6;2*1-2/h4-5,8H,1-3H2;1-2H3;2H2,1H3
InChIKeyHDDVXFUBAZXFKM-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.40
Rot. Bonds1

About ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde

ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde (PubChem CID 143834103) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Nameethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde
PubChem CID143834103
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Nameethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde
SMILESCC.CN.O=Cc1cn2c(n1)CNCC2
InChIInChI=1S/C7H9N3O.C2H6.CH5N/c11-5-6-4-10-2-1-8-3-7(10)9-6;2*1-2/h4-5,8H,1-3H2;1-2H3;2H2,1H3
InChIKeyHDDVXFUBAZXFKM-UHFFFAOYSA-N
XLogP0.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde?
The IUPAC name of ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde (CID 143834103) is ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde.
What is the SMILES notation for ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde?
The canonical SMILES for ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde is CC.CN.O=Cc1cn2c(n1)CNCC2.
What is the InChIKey of ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde?
The InChIKey is HDDVXFUBAZXFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.C2H6.CH5N/c11-5-6-4-10-2-1-8-3-7(10)9-6;2*1-2/h4-5,8H,1-3H2;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde?
ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde has a molecular weight of 212.30 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carbaldehyde is sourced from PubChem (CID 143834103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).