N-propyl-4-(tetrazol-1-yl)benzamide

C11H13N5O — CID 16649430

IUPACN-propyl-4-(tetrazol-1-yl)benzamide
SMILESCCCNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H13N5O/c1-2-7-12-11(17)9-3-5-10(6-4-9)16-8-13-14-15-16/h3-6,8H,2,7H2,1H3,(H,12,17)
InChIKeyFIAVMDRNRWCSCN-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.80
Rot. Bonds4

About N-propyl-4-(tetrazol-1-yl)benzamide

N-propyl-4-(tetrazol-1-yl)benzamide (PubChem CID 16649430) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-propyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-propyl-4-(tetrazol-1-yl)benzamide
PubChem CID16649430
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-propyl-4-(tetrazol-1-yl)benzamide
SMILESCCCNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H13N5O/c1-2-7-12-11(17)9-3-5-10(6-4-9)16-8-13-14-15-16/h3-6,8H,2,7H2,1H3,(H,12,17)
InChIKeyFIAVMDRNRWCSCN-UHFFFAOYSA-N
XLogP0.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-propyl-4-(tetrazol-1-yl)benzamide (CID 16649430) is N-propyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-propyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-propyl-4-(tetrazol-1-yl)benzamide is CCCNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-propyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is FIAVMDRNRWCSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-2-7-12-11(17)9-3-5-10(6-4-9)16-8-13-14-15-16/h3-6,8H,2,7H2,1H3,(H,12,17).
What are the key properties of N-propyl-4-(tetrazol-1-yl)benzamide?
N-propyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 231.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 16649430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).