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

C7H13N5O — CID 110496410

IUPACN-butyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCCCCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-2-3-4-8-7(13)5-6-9-11-12-10-6/h2-5H2,1H3,(H,8,13)(H,9,10,11,12)
InChIKeyFPOQQBIPMVWIGL-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.34
Rot. Bonds5

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

N-butyl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110496410) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is N-butyl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110496410
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC NameN-butyl-2-(2H-tetrazol-5-yl)acetamide
SMILESCCCCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H13N5O/c1-2-3-4-8-7(13)5-6-9-11-12-10-6/h2-5H2,1H3,(H,8,13)(H,9,10,11,12)
InChIKeyFPOQQBIPMVWIGL-UHFFFAOYSA-N
XLogP-0.34
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.34
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

(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
N-hexyl-2-(2H-tetrazol-5-yl)acetamide
CID 110496415
1-piperazin-1-yl-2-(2H-tetrazol-5-yl)ethanone;hydrochloride
CID 178300904
N-octyl-2-(2H-tetrazol-5-yl)acetamide
CID 178302110
N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide
CID 18618243
N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide
CID 110496418
N-Cyclohexyl-2-(1H-tetrazol-5-yl)acetamide
CID 110496420
N-dodecyl-2-(2H-tetrazol-5-yl)acetamide
CID 134846699
2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 130562017
2,2-difluoro-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
CID 166179016
N-methyl-2-(2H-tetrazol-5-yl)acetamide
CID 18618486
2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 21058209

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-butyl-2-(2H-tetrazol-5-yl)acetamide (CID 110496410) is N-butyl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-butyl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-butyl-2-(2H-tetrazol-5-yl)acetamide is CCCCNC(=O)Cc1nn[nH]n1.
What is the InChIKey of N-butyl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is FPOQQBIPMVWIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-2-3-4-8-7(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-butyl-2-(2H-tetrazol-5-yl)acetamide?
N-butyl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 183.21 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110496410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).