bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate

C4H10N8O2-2 — CID 162299493

IUPACbis(5-methyl-2H-tetrazole);oxygen(2-);hydrate
SMILESCc1nn[nH]n1.Cc1nn[nH]n1.O.[O-2]
InChIInChI=1S/2C2H4N4.H2O.O/c2*1-2-3-5-6-4-2;;/h2*1H3,(H,3,4,5,6);1H2;/q;;;-2
InChIKeyICWHGJWVBQYCMD-UHFFFAOYSA-N
MW202.18 g/mol
LogP-1.93
Rot. Bonds

About bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate

bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate (PubChem CID 162299493) has the molecular formula C4H10N8O2-2 and a molecular weight of 202.18 g/mol. Its IUPAC name is bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate.

Molecular Properties

Compound Namebis(5-methyl-2H-tetrazole);oxygen(2-);hydrate
PubChem CID162299493
Molecular FormulaC4H10N8O2-2
Molecular Weight202.18 g/mol
Exact Mass202.09
IUPAC Namebis(5-methyl-2H-tetrazole);oxygen(2-);hydrate
SMILESCc1nn[nH]n1.Cc1nn[nH]n1.O.[O-2]
InChIInChI=1S/2C2H4N4.H2O.O/c2*1-2-3-5-6-4-2;;/h2*1H3,(H,3,4,5,6);1H2;/q;;;-2
InChIKeyICWHGJWVBQYCMD-UHFFFAOYSA-N
XLogP-1.93
TPSA168.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate?
The IUPAC name of bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate (CID 162299493) is bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate.
What is the SMILES notation for bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate?
The canonical SMILES for bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate is Cc1nn[nH]n1.Cc1nn[nH]n1.O.[O-2].
What is the InChIKey of bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate?
The InChIKey is ICWHGJWVBQYCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4N4.H2O.O/c2*1-2-3-5-6-4-2;;/h2*1H3,(H,3,4,5,6);1H2;/q;;;-2.
What are the key properties of bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate?
bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate has a molecular weight of 202.18 g/mol, XLogP of -1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-methyl-2H-tetrazole);oxygen(2-);hydrate is sourced from PubChem (CID 162299493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).