N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide

C6H11N5O2 — CID 110496404

IUPACN-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NCCCO
InChIInChI=1S/C6H11N5O2/c12-3-1-2-7-6(13)4-5-8-10-11-9-5/h12H,1-4H2,(H,7,13)(H,8,9,10,11)
InChIKeyBQZBFWOAQSEOGF-UHFFFAOYSA-N
MW185.19 g/mol
LogP-1.76
Rot. Bonds5

About N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide

N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110496404) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110496404
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC NameN-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NCCCO
InChIInChI=1S/C6H11N5O2/c12-3-1-2-7-6(13)4-5-8-10-11-9-5/h12H,1-4H2,(H,7,13)(H,8,9,10,11)
InChIKeyBQZBFWOAQSEOGF-UHFFFAOYSA-N
XLogP-1.76
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110496404) is N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is BQZBFWOAQSEOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c12-3-1-2-7-6(13)4-5-8-10-11-9-5/h12H,1-4H2,(H,7,13)(H,8,9,10,11).
What are the key properties of N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 185.19 g/mol, XLogP of -1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110496404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).