hydron;1H-perimidin-2-amine;bromide

C11H10BrN3 — CID 74764768

IUPAChydron;1H-perimidin-2-amine;bromide
SMILESNC1=Nc2cccc3cccc(c23)N1.[Br-].[H+]
InChIInChI=1S/C11H9N3.BrH/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8;/h1-6H,(H3,12,13,14);1H
InChIKeyHFZUTZWRTHBWPV-UHFFFAOYSA-N
MW264.13 g/mol
LogP-0.67
Rot. Bonds

About hydron;1H-perimidin-2-amine;bromide

hydron;1H-perimidin-2-amine;bromide (PubChem CID 74764768) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is hydron;1H-perimidin-2-amine;bromide.

Molecular Properties

Compound Namehydron;1H-perimidin-2-amine;bromide
PubChem CID74764768
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Namehydron;1H-perimidin-2-amine;bromide
SMILESNC1=Nc2cccc3cccc(c23)N1.[Br-].[H+]
InChIInChI=1S/C11H9N3.BrH/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8;/h1-6H,(H3,12,13,14);1H
InChIKeyHFZUTZWRTHBWPV-UHFFFAOYSA-N
XLogP-0.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;1H-perimidin-2-amine;bromide?
The IUPAC name of hydron;1H-perimidin-2-amine;bromide (CID 74764768) is hydron;1H-perimidin-2-amine;bromide.
What is the SMILES notation for hydron;1H-perimidin-2-amine;bromide?
The canonical SMILES for hydron;1H-perimidin-2-amine;bromide is NC1=Nc2cccc3cccc(c23)N1.[Br-].[H+].
What is the InChIKey of hydron;1H-perimidin-2-amine;bromide?
The InChIKey is HFZUTZWRTHBWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3.BrH/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8;/h1-6H,(H3,12,13,14);1H.
What are the key properties of hydron;1H-perimidin-2-amine;bromide?
hydron;1H-perimidin-2-amine;bromide has a molecular weight of 264.13 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1H-perimidin-2-amine;bromide is sourced from PubChem (CID 74764768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).