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

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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).