molecular hydrogen;1,2,3,4-tetrahydroquinoxaline

C8H14N2 — CID 143824741

IUPACmolecular hydrogen;1,2,3,4-tetrahydroquinoxaline
SMILES[H][H].[H][H].c1ccc2c(c1)NCCN2
InChIInChI=1S/C8H10N2.2H2/c1-2-4-8-7(3-1)9-5-6-10-8;;/h1-4,9-10H,5-6H2;2*1H
InChIKeyIRDKFUWHEWUJRF-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.02
Rot. Bonds

About molecular hydrogen;1,2,3,4-tetrahydroquinoxaline

molecular hydrogen;1,2,3,4-tetrahydroquinoxaline (PubChem CID 143824741) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is molecular hydrogen;1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Namemolecular hydrogen;1,2,3,4-tetrahydroquinoxaline
PubChem CID143824741
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Namemolecular hydrogen;1,2,3,4-tetrahydroquinoxaline
SMILES[H][H].[H][H].c1ccc2c(c1)NCCN2
InChIInChI=1S/C8H10N2.2H2/c1-2-4-8-7(3-1)9-5-6-10-8;;/h1-4,9-10H,5-6H2;2*1H
InChIKeyIRDKFUWHEWUJRF-UHFFFAOYSA-N
XLogP2.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Related Compounds

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CID 11283208
2-oxa-9,12-diazatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,13,15-hexaene
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CID 122553501
2,3-dihydro-1H-benzimidazole;2,3-dihydro-1H-indole
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2,3-dihydro-1H-indole;hydrobromide
CID 18680303
4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
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CID 19771761
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CID 576503
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CID 102232178
3,3-dimethyl-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 80503717

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of molecular hydrogen;1,2,3,4-tetrahydroquinoxaline (CID 143824741) is molecular hydrogen;1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for molecular hydrogen;1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for molecular hydrogen;1,2,3,4-tetrahydroquinoxaline is [H][H].[H][H].c1ccc2c(c1)NCCN2.
What is the InChIKey of molecular hydrogen;1,2,3,4-tetrahydroquinoxaline?
The InChIKey is IRDKFUWHEWUJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2.2H2/c1-2-4-8-7(3-1)9-5-6-10-8;;/h1-4,9-10H,5-6H2;2*1H.
What are the key properties of molecular hydrogen;1,2,3,4-tetrahydroquinoxaline?
molecular hydrogen;1,2,3,4-tetrahydroquinoxaline has a molecular weight of 138.21 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 143824741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).