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

C7H13N5O2 — CID 110496401

IUPACN-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCOCCCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O2/c1-14-4-2-3-8-7(13)5-6-9-11-12-10-6/h2-5H2,1H3,(H,8,13)(H,9,10,11,12)
InChIKeyUCBPXYNXOPAUBT-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.11
Rot. Bonds6

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

N-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110496401) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110496401
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC NameN-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCOCCCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O2/c1-14-4-2-3-8-7(13)5-6-9-11-12-10-6/h2-5H2,1H3,(H,8,13)(H,9,10,11,12)
InChIKeyUCBPXYNXOPAUBT-UHFFFAOYSA-N
XLogP-1.11
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
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-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110496401) is N-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide is COCCCNC(=O)Cc1nn[nH]n1.
What is the InChIKey of N-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is UCBPXYNXOPAUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-14-4-2-3-8-7(13)5-6-9-11-12-10-6/h2-5H2,1H3,(H,8,13)(H,9,10,11,12).
What are the key properties of N-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 199.21 g/mol, XLogP of -1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110496401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).