N-methoxy-2-(5-methyltetrazol-1-yl)acetamide

C5H9N5O2 — CID 127012088

IUPACN-methoxy-2-(5-methyltetrazol-1-yl)acetamide
SMILESCONC(=O)Cn1nnnc1C
InChIInChI=1S/C5H9N5O2/c1-4-6-8-9-10(4)3-5(11)7-12-2/h3H2,1-2H3,(H,7,11)
InChIKeyUULYNBRWRKDDGL-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.34
Rot. Bonds3

About N-methoxy-2-(5-methyltetrazol-1-yl)acetamide

N-methoxy-2-(5-methyltetrazol-1-yl)acetamide (PubChem CID 127012088) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-methoxy-2-(5-methyltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-2-(5-methyltetrazol-1-yl)acetamide
PubChem CID127012088
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC NameN-methoxy-2-(5-methyltetrazol-1-yl)acetamide
SMILESCONC(=O)Cn1nnnc1C
InChIInChI=1S/C5H9N5O2/c1-4-6-8-9-10(4)3-5(11)7-12-2/h3H2,1-2H3,(H,7,11)
InChIKeyUULYNBRWRKDDGL-UHFFFAOYSA-N
XLogP-1.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium 1-[2-(methoxyamino)-2-oxoethyl]tetrazole-5-thiolate
CID 23667387
2-(5-methyltetrazol-1-yl)acetamide
CID 71946280
2-(5-methyltetrazol-1-yl)acetyl chloride
CID 165357102
methyl 3-(5-methyltetrazol-1-yl)propanoate
CID 59922425
methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 122146886
ethyl 1-[2-oxo-2-(pentan-2-ylamino)ethyl]tetrazole-5-carboxylate
CID 79317843
ethyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]tetrazole-5-carboxylate
CID 79318406
1-(2-bromoprop-2-enyl)-5-methyltetrazole
CID 130619232
2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid
CID 175080634
N-(2-bromo-4,6-difluorophenyl)-2-(5-methyltetrazol-1-yl)acetamide
CID 86801527
3-(5-methyltetrazol-1-yl)propanoate
CID 7219833
2-[(5-methyltetrazol-1-yl)methylsulfanyl]acetic acid
CID 21482131

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-(5-methyltetrazol-1-yl)acetamide?
The IUPAC name of N-methoxy-2-(5-methyltetrazol-1-yl)acetamide (CID 127012088) is N-methoxy-2-(5-methyltetrazol-1-yl)acetamide.
What is the SMILES notation for N-methoxy-2-(5-methyltetrazol-1-yl)acetamide?
The canonical SMILES for N-methoxy-2-(5-methyltetrazol-1-yl)acetamide is CONC(=O)Cn1nnnc1C.
What is the InChIKey of N-methoxy-2-(5-methyltetrazol-1-yl)acetamide?
The InChIKey is UULYNBRWRKDDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-4-6-8-9-10(4)3-5(11)7-12-2/h3H2,1-2H3,(H,7,11).
What are the key properties of N-methoxy-2-(5-methyltetrazol-1-yl)acetamide?
N-methoxy-2-(5-methyltetrazol-1-yl)acetamide has a molecular weight of 171.16 g/mol, XLogP of -1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(5-methyltetrazol-1-yl)acetamide is sourced from PubChem (CID 127012088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).