hydrogen peroxide;pyridin-3-amine

C5H8N2O2 — CID 87884226

IUPAChydrogen peroxide;pyridin-3-amine
SMILESNc1cccnc1.OO
InChIInChI=1S/C5H6N2.H2O2/c6-5-2-1-3-7-4-5;1-2/h1-4H,6H2;1-2H
InChIKeyYVNCKLUJOZPVQC-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.68
Rot. Bonds

About hydrogen peroxide;pyridin-3-amine

hydrogen peroxide;pyridin-3-amine (PubChem CID 87884226) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is hydrogen peroxide;pyridin-3-amine.

Molecular Properties

Compound Namehydrogen peroxide;pyridin-3-amine
PubChem CID87884226
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Namehydrogen peroxide;pyridin-3-amine
SMILESNc1cccnc1.OO
InChIInChI=1S/C5H6N2.H2O2/c6-5-2-1-3-7-4-5;1-2/h1-4H,6H2;1-2H
InChIKeyYVNCKLUJOZPVQC-UHFFFAOYSA-N
XLogP0.68
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

iron;pyridin-3-amine
CID 174751178
bis(pyridin-3-amine);hydrate
CID 172803625
molecular hydrogen;propane;pyridin-3-amine
CID 156868620
3-methylbutanoic acid;pyridin-3-amine
CID 143630380
pyridin-3-amine;1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139202621
ethane;2-methylpyridine;pyridin-3-amine
CID 143747996
ethyl propanoate;pyridin-3-amine;dihydrochloride
CID 174751108
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
2-(2-oxopyrrolidin-1-yl)propanoic acid;pyridin-3-amine
CID 70115817
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
benzene;pyridine-3-carboxamide
CID 66766032
copper;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(pyridin-3-amine);diperchlorate
CID 139059899

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;pyridin-3-amine?
The IUPAC name of hydrogen peroxide;pyridin-3-amine (CID 87884226) is hydrogen peroxide;pyridin-3-amine.
What is the SMILES notation for hydrogen peroxide;pyridin-3-amine?
The canonical SMILES for hydrogen peroxide;pyridin-3-amine is Nc1cccnc1.OO.
What is the InChIKey of hydrogen peroxide;pyridin-3-amine?
The InChIKey is YVNCKLUJOZPVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.H2O2/c6-5-2-1-3-7-4-5;1-2/h1-4H,6H2;1-2H.
What are the key properties of hydrogen peroxide;pyridin-3-amine?
hydrogen peroxide;pyridin-3-amine has a molecular weight of 128.13 g/mol, XLogP of 0.68, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;pyridin-3-amine is sourced from PubChem (CID 87884226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).