N-cyclopropyl-3-(tetrazol-1-yl)benzamide

C11H11N5O — CID 1460476

IUPACN-cyclopropyl-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C11H11N5O/c17-11(13-9-4-5-9)8-2-1-3-10(6-8)16-7-12-14-15-16/h1-3,6-7,9H,4-5H2,(H,13,17)
InChIKeyGBXKVGDTGKFWOJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.55
Rot. Bonds3

About N-cyclopropyl-3-(tetrazol-1-yl)benzamide

N-cyclopropyl-3-(tetrazol-1-yl)benzamide (PubChem CID 1460476) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is N-cyclopropyl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(tetrazol-1-yl)benzamide
PubChem CID1460476
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC NameN-cyclopropyl-3-(tetrazol-1-yl)benzamide
SMILESO=C(NC1CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C11H11N5O/c17-11(13-9-4-5-9)8-2-1-3-10(6-8)16-7-12-14-15-16/h1-3,6-7,9H,4-5H2,(H,13,17)
InChIKeyGBXKVGDTGKFWOJ-UHFFFAOYSA-N
XLogP0.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-cyclopropyl-3-(tetrazol-1-yl)benzamide (CID 1460476) is N-cyclopropyl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-cyclopropyl-3-(tetrazol-1-yl)benzamide is O=C(NC1CC1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-cyclopropyl-3-(tetrazol-1-yl)benzamide?
The InChIKey is GBXKVGDTGKFWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c17-11(13-9-4-5-9)8-2-1-3-10(6-8)16-7-12-14-15-16/h1-3,6-7,9H,4-5H2,(H,13,17).
What are the key properties of N-cyclopropyl-3-(tetrazol-1-yl)benzamide?
N-cyclopropyl-3-(tetrazol-1-yl)benzamide has a molecular weight of 229.24 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 1460476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).