N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide

C12H15N5O — CID 5296923

IUPACN-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCn2cnnn2)c1
InChIInChI=1S/C12H15N5O/c1-9-3-4-10(2)11(7-9)14-12(18)5-6-17-8-13-15-16-17/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)
InChIKeyKDRCECLFHOINEM-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.32
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide

N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide (PubChem CID 5296923) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide
PubChem CID5296923
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCn2cnnn2)c1
InChIInChI=1S/C12H15N5O/c1-9-3-4-10(2)11(7-9)14-12(18)5-6-17-8-13-15-16-17/h3-4,7-8H,5-6H2,1-2H3,(H,14,18)
InChIKeyKDRCECLFHOINEM-UHFFFAOYSA-N
XLogP1.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-3-(1H-tetrazol-1-yl)propanamide
CID 1511455
Cambridge id 6526014
CID 882743
N-(2-fluorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511818
1-(2-methylphenyl)-4-{1-[3-(1H-tetrazol-1-yl)propanoyl]-3-piperidinyl}piperazine
CID 24790596
N-(3-fluorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511817
N-[4-(acetylamino)phenyl]-3-(1H-tetrazol-1-yl)propanamide
CID 5297376
1-(2,5-dimethylphenyl)-3-(4H-1,2,4-triazol-4-yl)urea
CID 17268821
N-(4-fluorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511454
N-[3,5-bis(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)propanamide
CID 5296928
N-[2-Methyl-5-(1H-tetrazol-1-yl)phenyl]acetamide
CID 855910
N-{4-[2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-2-methyl-phenyl}-propionamide
CID 644663
N-(2-benzylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2612876

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide (CID 5296923) is N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide is Cc1ccc(C)c(NC(=O)CCn2cnnn2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide?
The InChIKey is KDRCECLFHOINEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-3-4-10(2)11(7-9)14-12(18)5-6-17-8-13-15-16-17/h3-4,7-8H,5-6H2,1-2H3,(H,14,18).
What are the key properties of N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide has a molecular weight of 245.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 5296923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).