N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide

C5H9N5O2 — CID 126709748

IUPACN-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(CO)C(=O)Cn1cnnn1
InChIInChI=1S/C5H9N5O2/c1-9(4-11)5(12)2-10-3-6-7-8-10/h3,11H,2,4H2,1H3
InChIKeyKLVCUWRLYQHMDO-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.92
Rot. Bonds3

About N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide

N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide (PubChem CID 126709748) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide
PubChem CID126709748
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC NameN-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(CO)C(=O)Cn1cnnn1
InChIInChI=1S/C5H9N5O2/c1-9(4-11)5(12)2-10-3-6-7-8-10/h3,11H,2,4H2,1H3
InChIKeyKLVCUWRLYQHMDO-UHFFFAOYSA-N
XLogP-1.92
TPSA84.14 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 ≤ 5-1.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide (CID 126709748) is N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide is CN(CO)C(=O)Cn1cnnn1.
What is the InChIKey of N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is KLVCUWRLYQHMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-9(4-11)5(12)2-10-3-6-7-8-10/h3,11H,2,4H2,1H3.
What are the key properties of N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide?
N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 171.16 g/mol, XLogP of -1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-N-methyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 126709748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).