CID 87768298

C2H4KN4 — CID 87768298

IUPAC—
SMILESN#CN=C(N)N.[K]
InChIInChI=1S/C2H4N4.K/c3-1-6-2(4)5;/h(H4,4,5,6);
InChIKeySMROYOHSZLJSON-UHFFFAOYSA-N
MW123.18 g/mol
LogP-1.64
Rot. Bonds

About CID 87768298

CID 87768298 (PubChem CID 87768298) has the molecular formula C2H4KN4 and a molecular weight of 123.18 g/mol.

Molecular Properties

Compound NameCID 87768298
PubChem CID87768298
Molecular FormulaC2H4KN4
Molecular Weight123.18 g/mol
Exact Mass123.01
IUPAC Name—
SMILESN#CN=C(N)N.[K]
InChIInChI=1S/C2H4N4.K/c3-1-6-2(4)5;/h(H4,4,5,6);
InChIKeySMROYOHSZLJSON-UHFFFAOYSA-N
XLogP-1.64
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87768298?
The IUPAC name of CID 87768298 (CID 87768298) is not available.
What is the SMILES notation for CID 87768298?
The canonical SMILES for CID 87768298 is N#CN=C(N)N.[K].
What is the InChIKey of CID 87768298?
The InChIKey is SMROYOHSZLJSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4.K/c3-1-6-2(4)5;/h(H4,4,5,6);.
What are the key properties of CID 87768298?
CID 87768298 has a molecular weight of 123.18 g/mol, XLogP of -1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87768298 is sourced from PubChem (CID 87768298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).