cesium 1-methyltetrazol-5-olate

C2H3CsN4O — CID 142575811

IUPACcesium 1-methyltetrazol-5-olate
SMILESCn1nnnc1[O-].[Cs+]
InChIInChI=1S/C2H4N4O.Cs/c1-6-2(7)3-4-5-6;/h1H3,(H,3,5,7);/q;+1/p-1
InChIKeyBQUKCZHTXHJQDF-UHFFFAOYSA-M
MW231.98 g/mol
LogP-4.71
Rot. Bonds

About cesium 1-methyltetrazol-5-olate

cesium 1-methyltetrazol-5-olate (PubChem CID 142575811) has the molecular formula C2H3CsN4O and a molecular weight of 231.98 g/mol. Its IUPAC name is cesium 1-methyltetrazol-5-olate.

Molecular Properties

Compound Namecesium 1-methyltetrazol-5-olate
PubChem CID142575811
Molecular FormulaC2H3CsN4O
Molecular Weight231.98 g/mol
Exact Mass231.94
IUPAC Namecesium 1-methyltetrazol-5-olate
SMILESCn1nnnc1[O-].[Cs+]
InChIInChI=1S/C2H4N4O.Cs/c1-6-2(7)3-4-5-6;/h1H3,(H,3,5,7);/q;+1/p-1
InChIKeyBQUKCZHTXHJQDF-UHFFFAOYSA-M
XLogP-4.71
TPSA66.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.98
LogP ≤ 5-4.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cesium 1-methyltetrazol-5-olate?
The IUPAC name of cesium 1-methyltetrazol-5-olate (CID 142575811) is cesium 1-methyltetrazol-5-olate.
What is the SMILES notation for cesium 1-methyltetrazol-5-olate?
The canonical SMILES for cesium 1-methyltetrazol-5-olate is Cn1nnnc1[O-].[Cs+].
What is the InChIKey of cesium 1-methyltetrazol-5-olate?
The InChIKey is BQUKCZHTXHJQDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4N4O.Cs/c1-6-2(7)3-4-5-6;/h1H3,(H,3,5,7);/q;+1/p-1.
What are the key properties of cesium 1-methyltetrazol-5-olate?
cesium 1-methyltetrazol-5-olate has a molecular weight of 231.98 g/mol, XLogP of -4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 1-methyltetrazol-5-olate is sourced from PubChem (CID 142575811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).