CID 68763442

C4H5N5 — CID 68763442

IUPAC—
SMILES[N-]=[N+]=N.c1cncnc1
InChIInChI=1S/C4H4N2.HN3/c1-2-5-4-6-3-1;1-3-2/h1-4H;1H
InChIKeyKPIYCJBCAGZGML-UHFFFAOYSA-N
MW123.12 g/mol
LogP1.35
Rot. Bonds

About CID 68763442

CID 68763442 (PubChem CID 68763442) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol.

Molecular Properties

Compound NameCID 68763442
PubChem CID68763442
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Name—
SMILES[N-]=[N+]=N.c1cncnc1
InChIInChI=1S/C4H4N2.HN3/c1-2-5-4-6-3-1;1-3-2/h1-4H;1H
InChIKeyKPIYCJBCAGZGML-UHFFFAOYSA-N
XLogP1.35
TPSA86.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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CID 140826173
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CID 174544758
manganese;pyrimidine;sulfane
CID 174633913
pyrimidine;dihydrate;hydrochloride
CID 142797131
pyrimidine;pentahydrate;trihydrochloride
CID 139950322
hypochlorous acid;pyrimidine
CID 161391603
methanethione;bis(pyrimidine)
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Frequently Asked Questions

What is the IUPAC name of CID 68763442?
The IUPAC name of CID 68763442 (CID 68763442) is not available.
What is the SMILES notation for CID 68763442?
The canonical SMILES for CID 68763442 is [N-]=[N+]=N.c1cncnc1.
What is the InChIKey of CID 68763442?
The InChIKey is KPIYCJBCAGZGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.HN3/c1-2-5-4-6-3-1;1-3-2/h1-4H;1H.
What are the key properties of CID 68763442?
CID 68763442 has a molecular weight of 123.12 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68763442 is sourced from PubChem (CID 68763442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).