N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide

C12H14N6O — CID 66188486

IUPACN-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCN(C(=O)c1ccc(-n2cnnn2)cc1)C1CNC1
InChIInChI=1S/C12H14N6O/c1-17(11-6-13-7-11)12(19)9-2-4-10(5-3-9)18-8-14-15-16-18/h2-5,8,11,13H,6-7H2,1H3
InChIKeyRNIGSRJVUFGJRB-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.29
Rot. Bonds3

About N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide

N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 66188486) has the molecular formula C12H14N6O and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID66188486
Molecular FormulaC12H14N6O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC NameN-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
SMILESCN(C(=O)c1ccc(-n2cnnn2)cc1)C1CNC1
InChIInChI=1S/C12H14N6O/c1-17(11-6-13-7-11)12(19)9-2-4-10(5-3-9)18-8-14-15-16-18/h2-5,8,11,13H,6-7H2,1H3
InChIKeyRNIGSRJVUFGJRB-UHFFFAOYSA-N
XLogP-0.29
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide (CID 66188486) is N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide is CN(C(=O)c1ccc(-n2cnnn2)cc1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is RNIGSRJVUFGJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c1-17(11-6-13-7-11)12(19)9-2-4-10(5-3-9)18-8-14-15-16-18/h2-5,8,11,13H,6-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide?
N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 258.28 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 66188486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).