2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide

C13H17N5O3 — CID 954606

IUPAC2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2c(OC)cccc2OC)n1
InChIInChI=1S/C13H17N5O3/c1-4-8-18-16-13(15-17-18)14-12(19)11-9(20-2)6-5-7-10(11)21-3/h5-7H,4,8H2,1-3H3,(H,14,16,19)
InChIKeyAMACDGVCRNAKJR-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.35
Rot. Bonds6

About 2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide

2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 954606) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID954606
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2c(OC)cccc2OC)n1
InChIInChI=1S/C13H17N5O3/c1-4-8-18-16-13(15-17-18)14-12(19)11-9(20-2)6-5-7-10(11)21-3/h5-7H,4,8H2,1-3H3,(H,14,16,19)
InChIKeyAMACDGVCRNAKJR-UHFFFAOYSA-N
XLogP1.35
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide (CID 954606) is 2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2c(OC)cccc2OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is AMACDGVCRNAKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-8-18-16-13(15-17-18)14-12(19)11-9(20-2)6-5-7-10(11)21-3/h5-7H,4,8H2,1-3H3,(H,14,16,19).
What are the key properties of 2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide?
2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 291.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 954606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).