5-(methoxymethyl)-2H-tetrazole;molecular hydrogen

C3H8N4O — CID 143723114

IUPAC5-(methoxymethyl)-2H-tetrazole;molecular hydrogen
SMILESCOCc1nn[nH]n1.[H][H]
InChIInChI=1S/C3H6N4O.H2/c1-8-2-3-4-6-7-5-3;/h2H2,1H3,(H,4,5,6,7);1H
InChIKeyJIFWGCBLFUADBH-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.41
Rot. Bonds2

About 5-(methoxymethyl)-2H-tetrazole;molecular hydrogen

5-(methoxymethyl)-2H-tetrazole;molecular hydrogen (PubChem CID 143723114) has the molecular formula C3H8N4O and a molecular weight of 116.12 g/mol. Its IUPAC name is 5-(methoxymethyl)-2H-tetrazole;molecular hydrogen.

Molecular Properties

Compound Name5-(methoxymethyl)-2H-tetrazole;molecular hydrogen
PubChem CID143723114
Molecular FormulaC3H8N4O
Molecular Weight116.12 g/mol
Exact Mass116.07
IUPAC Name5-(methoxymethyl)-2H-tetrazole;molecular hydrogen
SMILESCOCc1nn[nH]n1.[H][H]
InChIInChI=1S/C3H6N4O.H2/c1-8-2-3-4-6-7-5-3;/h2H2,1H3,(H,4,5,6,7);1H
InChIKeyJIFWGCBLFUADBH-UHFFFAOYSA-N
XLogP-0.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2H-tetrazole;molecular hydrogen;vanadium
CID 143273241
5-(2,2-dimethylpropoxymethyl)-2H-tetrazole
CID 155579956
5-[(2-methoxyphenoxy)methyl]-2H-tetrazole
CID 5306162
5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole
CID 104564181
2H-tetrazol-5-ylmethyl carbamate
CID 175043654
methyl 2-methyl-2-(2H-tetrazol-5-ylmethoxy)propanoate
CID 68921663
5-[(3,5-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076911
5-[(2-methylphenoxy)methyl]-2H-tetrazole
CID 82075517
2H-tetrazol-5-ylmethanamine
CID 5146781
N,N-dimethyl-1-(2H-tetrazol-5-yl)methanamine
CID 14787295
5-[(3,4-dimethylphenoxy)methyl]-2H-tetrazole
CID 82076912
5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole
CID 13101701

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-2H-tetrazole;molecular hydrogen?
The IUPAC name of 5-(methoxymethyl)-2H-tetrazole;molecular hydrogen (CID 143723114) is 5-(methoxymethyl)-2H-tetrazole;molecular hydrogen.
What is the SMILES notation for 5-(methoxymethyl)-2H-tetrazole;molecular hydrogen?
The canonical SMILES for 5-(methoxymethyl)-2H-tetrazole;molecular hydrogen is COCc1nn[nH]n1.[H][H].
What is the InChIKey of 5-(methoxymethyl)-2H-tetrazole;molecular hydrogen?
The InChIKey is JIFWGCBLFUADBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O.H2/c1-8-2-3-4-6-7-5-3;/h2H2,1H3,(H,4,5,6,7);1H.
What are the key properties of 5-(methoxymethyl)-2H-tetrazole;molecular hydrogen?
5-(methoxymethyl)-2H-tetrazole;molecular hydrogen has a molecular weight of 116.12 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-2H-tetrazole;molecular hydrogen is sourced from PubChem (CID 143723114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).