2,5-dihydro-1H-pyridin-5-ylium-4-amine

C5H7N2+ — CID 88520258

IUPAC2,5-dihydro-1H-pyridin-5-ylium-4-amine
SMILESNC1=CCNC=[C+]1
InChIInChI=1S/C5H7N2/c6-5-1-3-7-4-2-5/h1,4,7H,3,6H2/q+1
InChIKeyZQNSAFDPWPNAAJ-UHFFFAOYSA-N
MW95.12 g/mol
LogP-0.25
Rot. Bonds

About 2,5-dihydro-1H-pyridin-5-ylium-4-amine

2,5-dihydro-1H-pyridin-5-ylium-4-amine (PubChem CID 88520258) has the molecular formula C5H7N2+ and a molecular weight of 95.12 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyridin-5-ylium-4-amine.

Molecular Properties

Compound Name2,5-dihydro-1H-pyridin-5-ylium-4-amine
PubChem CID88520258
Molecular FormulaC5H7N2+
Molecular Weight95.12 g/mol
Exact Mass95.06
IUPAC Name2,5-dihydro-1H-pyridin-5-ylium-4-amine
SMILESNC1=CCNC=[C+]1
InChIInChI=1S/C5H7N2/c6-5-1-3-7-4-2-5/h1,4,7H,3,6H2/q+1
InChIKeyZQNSAFDPWPNAAJ-UHFFFAOYSA-N
XLogP-0.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyridin-5-ylium-4-amine?
The IUPAC name of 2,5-dihydro-1H-pyridin-5-ylium-4-amine (CID 88520258) is 2,5-dihydro-1H-pyridin-5-ylium-4-amine.
What is the SMILES notation for 2,5-dihydro-1H-pyridin-5-ylium-4-amine?
The canonical SMILES for 2,5-dihydro-1H-pyridin-5-ylium-4-amine is NC1=CCNC=[C+]1.
What is the InChIKey of 2,5-dihydro-1H-pyridin-5-ylium-4-amine?
The InChIKey is ZQNSAFDPWPNAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2/c6-5-1-3-7-4-2-5/h1,4,7H,3,6H2/q+1.
What are the key properties of 2,5-dihydro-1H-pyridin-5-ylium-4-amine?
2,5-dihydro-1H-pyridin-5-ylium-4-amine has a molecular weight of 95.12 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyridin-5-ylium-4-amine is sourced from PubChem (CID 88520258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).