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

C9H17N5O — CID 110496415

IUPACN-hexyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCCCCCCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C9H17N5O/c1-2-3-4-5-6-10-9(15)7-8-11-13-14-12-8/h2-7H2,1H3,(H,10,15)(H,11,12,13,14)
InChIKeyZZQCXWIHUUHCNR-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.44
Rot. Bonds7

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

N-hexyl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110496415) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-hexyl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110496415
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-hexyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCCCCCCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C9H17N5O/c1-2-3-4-5-6-10-9(15)7-8-11-13-14-12-8/h2-7H2,1H3,(H,10,15)(H,11,12,13,14)
InChIKeyZZQCXWIHUUHCNR-UHFFFAOYSA-N
XLogP0.44
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[5-(2H-tetrazol-5-yl)pentyl]acetamide
CID 15164342
N-[5-(1H-Tetrazol-5-yl)pentyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 15164343
N-[5-(2H-tetrazol-5-yl)pentyl]nonanamide
CID 44384783
N-octyl-2-(2H-tetrazol-5-yl)acetamide
CID 178302110
4,4-dimethyl-N-[3-(1H-tetrazol-5-yl)propyl]pentanamide
CID 119074533
2,2,3,3,4,4,4-heptafluoro-N-[10-(2H-tetrazol-5-yl)decyl]butanamide
CID 15009177
N-butyl-2-(2H-tetrazol-5-yl)acetamide
CID 110496410
N-Cyclohexyl-2-(1H-tetrazol-5-yl)acetamide
CID 110496420
N-dodecyl-2-(2H-tetrazol-5-yl)acetamide
CID 134846699
2,2,2-trifluoro-N-[10-(2H-tetrazol-5-yl)decyl]acetamide
CID 9883583
4,4-difluoro-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
CID 166312629
N,N-diethyl-5-(2H-tetrazol-5-yl)pentanamide
CID 13203399

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-hexyl-2-(2H-tetrazol-5-yl)acetamide (CID 110496415) is N-hexyl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-hexyl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-hexyl-2-(2H-tetrazol-5-yl)acetamide is CCCCCCNC(=O)Cc1nn[nH]n1.
What is the InChIKey of N-hexyl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is ZZQCXWIHUUHCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-2-3-4-5-6-10-9(15)7-8-11-13-14-12-8/h2-7H2,1H3,(H,10,15)(H,11,12,13,14).
What are the key properties of N-hexyl-2-(2H-tetrazol-5-yl)acetamide?
N-hexyl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 211.27 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110496415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).