N-nonyl-2H-tetrazole-5-carboxamide

C11H21N5O — CID 91265172

IUPACN-nonyl-2H-tetrazole-5-carboxamide
SMILESCCCCCCCCCNC(=O)c1nn[nH]n1
InChIInChI=1S/C11H21N5O/c1-2-3-4-5-6-7-8-9-12-11(17)10-13-15-16-14-10/h2-9H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyFUEXQLXXIITFMK-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.68
Rot. Bonds9

About N-nonyl-2H-tetrazole-5-carboxamide

N-nonyl-2H-tetrazole-5-carboxamide (PubChem CID 91265172) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-nonyl-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-nonyl-2H-tetrazole-5-carboxamide
PubChem CID91265172
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-nonyl-2H-tetrazole-5-carboxamide
SMILESCCCCCCCCCNC(=O)c1nn[nH]n1
InChIInChI=1S/C11H21N5O/c1-2-3-4-5-6-7-8-9-12-11(17)10-13-15-16-14-10/h2-9H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyFUEXQLXXIITFMK-UHFFFAOYSA-N
XLogP1.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.68
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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Frequently Asked Questions

What is the IUPAC name of N-nonyl-2H-tetrazole-5-carboxamide?
The IUPAC name of N-nonyl-2H-tetrazole-5-carboxamide (CID 91265172) is N-nonyl-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-nonyl-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-nonyl-2H-tetrazole-5-carboxamide is CCCCCCCCCNC(=O)c1nn[nH]n1.
What is the InChIKey of N-nonyl-2H-tetrazole-5-carboxamide?
The InChIKey is FUEXQLXXIITFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-2-3-4-5-6-7-8-9-12-11(17)10-13-15-16-14-10/h2-9H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of N-nonyl-2H-tetrazole-5-carboxamide?
N-nonyl-2H-tetrazole-5-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 91265172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).