N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide

C7H13N5O2 — CID 110498038

IUPACN-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCCN(CCO)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O2/c1-2-12(3-4-13)7(14)5-6-8-10-11-9-6/h13H,2-5H2,1H3,(H,8,9,10,11)
InChIKeyMOBXRWFOPYFLQH-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.42
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide

N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110498038) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110498038
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCCN(CCO)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O2/c1-2-12(3-4-13)7(14)5-6-8-10-11-9-6/h13H,2-5H2,1H3,(H,8,9,10,11)
InChIKeyMOBXRWFOPYFLQH-UHFFFAOYSA-N
XLogP-1.42
TPSA95.00 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 ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110498038) is N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide is CCN(CCO)C(=O)Cc1nn[nH]n1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is MOBXRWFOPYFLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-2-12(3-4-13)7(14)5-6-8-10-11-9-6/h13H,2-5H2,1H3,(H,8,9,10,11).
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide?
N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 199.21 g/mol, XLogP of -1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110498038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).