2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide

C7H13N5O2 — CID 173120319

IUPAC2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide
SMILESCC(C)(OCCc1nn[nH]n1)C(N)=O
InChIInChI=1S/C7H13N5O2/c1-7(2,6(8)13)14-4-3-5-9-11-12-10-5/h3-4H2,1-2H3,(H2,8,13)(H,9,10,11,12)
InChIKeyPYDCBNHUGMPVFF-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.98
Rot. Bonds5

About 2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide

2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide (PubChem CID 173120319) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide.

Molecular Properties

Compound Name2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide
PubChem CID173120319
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide
SMILESCC(C)(OCCc1nn[nH]n1)C(N)=O
InChIInChI=1S/C7H13N5O2/c1-7(2,6(8)13)14-4-3-5-9-11-12-10-5/h3-4H2,1-2H3,(H2,8,13)(H,9,10,11,12)
InChIKeyPYDCBNHUGMPVFF-UHFFFAOYSA-N
XLogP-0.98
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide?
The IUPAC name of 2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide (CID 173120319) is 2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide.
What is the SMILES notation for 2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide?
The canonical SMILES for 2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide is CC(C)(OCCc1nn[nH]n1)C(N)=O.
What is the InChIKey of 2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide?
The InChIKey is PYDCBNHUGMPVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-7(2,6(8)13)14-4-3-5-9-11-12-10-5/h3-4H2,1-2H3,(H2,8,13)(H,9,10,11,12).
What are the key properties of 2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide?
2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide has a molecular weight of 199.21 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2H-tetrazol-5-yl)ethoxy]propanamide is sourced from PubChem (CID 173120319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).