2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide

C13H16N6O — CID 116677263

IUPAC2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-n2cnnn2)cc1)C1CNC1
InChIInChI=1S/C13H16N6O/c1-9(10-6-14-7-10)13(20)16-11-2-4-12(5-3-11)19-8-15-17-18-19/h2-5,8-10,14H,6-7H2,1H3,(H,16,20)
InChIKeyVTUFBGKCINJAQF-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.46
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide

2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 116677263) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID116677263
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-n2cnnn2)cc1)C1CNC1
InChIInChI=1S/C13H16N6O/c1-9(10-6-14-7-10)13(20)16-11-2-4-12(5-3-11)19-8-15-17-18-19/h2-5,8-10,14H,6-7H2,1H3,(H,16,20)
InChIKeyVTUFBGKCINJAQF-UHFFFAOYSA-N
XLogP0.46
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61259268
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947
methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
CID 116675796
(2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 25340645
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
2-(azetidin-3-yl)-N-(4-cyanophenyl)propanamide
CID 116674524
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 4881594
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide (CID 116677263) is 2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide is CC(C(=O)Nc1ccc(-n2cnnn2)cc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is VTUFBGKCINJAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9(10-6-14-7-10)13(20)16-11-2-4-12(5-3-11)19-8-15-17-18-19/h2-5,8-10,14H,6-7H2,1H3,(H,16,20).
What are the key properties of 2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide?
2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 272.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 116677263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).