lithium;hydride;2H-tetrazole

CH3LiN4 — CID 174768353

IUPAClithium;hydride;2H-tetrazole
SMILES[H-].[Li+].c1nn[nH]n1
InChIInChI=1S/CH2N4.Li.H/c1-2-4-5-3-1;;/h1H,(H,2,3,4,5);;/q;+1;-1
InChIKeyKQPNULGKGJTVCV-UHFFFAOYSA-N
MW78.00 g/mol
LogP-3.68
Rot. Bonds

About lithium;hydride;2H-tetrazole

lithium;hydride;2H-tetrazole (PubChem CID 174768353) has the molecular formula CH3LiN4 and a molecular weight of 78.00 g/mol. Its IUPAC name is lithium;hydride;2H-tetrazole.

Molecular Properties

Compound Namelithium;hydride;2H-tetrazole
PubChem CID174768353
Molecular FormulaCH3LiN4
Molecular Weight78.00 g/mol
Exact Mass78.05
IUPAC Namelithium;hydride;2H-tetrazole
SMILES[H-].[Li+].c1nn[nH]n1
InChIInChI=1S/CH2N4.Li.H/c1-2-4-5-3-1;;/h1H,(H,2,3,4,5);;/q;+1;-1
InChIKeyKQPNULGKGJTVCV-UHFFFAOYSA-N
XLogP-3.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.00
LogP ≤ 5-3.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2H-tetrazole?
The IUPAC name of lithium;hydride;2H-tetrazole (CID 174768353) is lithium;hydride;2H-tetrazole.
What is the SMILES notation for lithium;hydride;2H-tetrazole?
The canonical SMILES for lithium;hydride;2H-tetrazole is [H-].[Li+].c1nn[nH]n1.
What is the InChIKey of lithium;hydride;2H-tetrazole?
The InChIKey is KQPNULGKGJTVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N4.Li.H/c1-2-4-5-3-1;;/h1H,(H,2,3,4,5);;/q;+1;-1.
What are the key properties of lithium;hydride;2H-tetrazole?
lithium;hydride;2H-tetrazole has a molecular weight of 78.00 g/mol, XLogP of -3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2H-tetrazole is sourced from PubChem (CID 174768353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).