2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide

C9H12N6O — CID 110205418

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide
SMILESCc1ccc(C)n1CC(=O)Nc1nn[nH]n1
InChIInChI=1S/C9H12N6O/c1-6-3-4-7(2)15(6)5-8(16)10-9-11-13-14-12-9/h3-4H,5H2,1-2H3,(H2,10,11,12,13,14,16)
InChIKeyXEDRHTNZKPVECH-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.26
Rot. Bonds3

About 2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide

2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide (PubChem CID 110205418) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide
PubChem CID110205418
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide
SMILESCc1ccc(C)n1CC(=O)Nc1nn[nH]n1
InChIInChI=1S/C9H12N6O/c1-6-3-4-7(2)15(6)5-8(16)10-9-11-13-14-12-9/h3-4H,5H2,1-2H3,(H2,10,11,12,13,14,16)
InChIKeyXEDRHTNZKPVECH-UHFFFAOYSA-N
XLogP0.26
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110204423
N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688871
3-amino-N-(2H-tetrazol-5-yl)propanamide;hydrochloride
CID 130725338
2-(benzenesulfinyl)-N-(2H-tetrazol-5-yl)acetamide
CID 140956956
3-chloro-N-(2H-tetrazol-5-yl)propanamide
CID 3253359
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2H-tetrazol-5-yl)propanamide
CID 84561942
CID 70476554
CID 70476554
2-(2-tert-butylphenoxy)-N-(2H-tetrazol-5-yl)acetamide
CID 154747632
2-bromo-2-methyl-N-(2H-tetrazol-5-yl)propanamide
CID 82108807
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
CID 551595
3,6-dimethyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 13209568

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide (CID 110205418) is 2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide is Cc1ccc(C)n1CC(=O)Nc1nn[nH]n1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide?
The InChIKey is XEDRHTNZKPVECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-6-3-4-7(2)15(6)5-8(16)10-9-11-13-14-12-9/h3-4H,5H2,1-2H3,(H2,10,11,12,13,14,16).
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide?
2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide has a molecular weight of 220.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110205418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).