3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide

C12H15N5O — CID 17012348

IUPAC3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H15N5O/c1-9(2)7-12(18)14-10-3-5-11(6-4-10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyUAWFPHLSVXXHHT-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.65
Rot. Bonds4

About 3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide

3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide (PubChem CID 17012348) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
PubChem CID17012348
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H15N5O/c1-9(2)7-12(18)14-10-3-5-11(6-4-10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18)
InChIKeyUAWFPHLSVXXHHT-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide (CID 17012348) is 3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The InChIKey is UAWFPHLSVXXHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9(2)7-12(18)14-10-3-5-11(6-4-10)17-8-13-15-16-17/h3-6,8-9H,7H2,1-2H3,(H,14,18).
What are the key properties of 3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide?
3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide has a molecular weight of 245.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 17012348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).