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

C5H9N5O2 — CID 110496403

IUPACN-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NCCO
InChIInChI=1S/C5H9N5O2/c11-2-1-6-5(12)3-4-7-9-10-8-4/h11H,1-3H2,(H,6,12)(H,7,8,9,10)
InChIKeyMAILZIKWHUTBTQ-UHFFFAOYSA-N
MW171.16 g/mol
LogP-2.15
Rot. Bonds4

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

N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110496403) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110496403
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC NameN-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NCCO
InChIInChI=1S/C5H9N5O2/c11-2-1-6-5(12)3-4-7-9-10-8-4/h11H,1-3H2,(H,6,12)(H,7,8,9,10)
InChIKeyMAILZIKWHUTBTQ-UHFFFAOYSA-N
XLogP-2.15
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-2.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110496403) is N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is MAILZIKWHUTBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c11-2-1-6-5(12)3-4-7-9-10-8-4/h11H,1-3H2,(H,6,12)(H,7,8,9,10).
What are the key properties of N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 171.16 g/mol, XLogP of -2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110496403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).