2-methoxy-N-(2-propyltetrazol-5-yl)benzamide

C12H15N5O2 — CID 934910

IUPAC2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccccc2OC)n1
InChIInChI=1S/C12H15N5O2/c1-3-8-17-15-12(14-16-17)13-11(18)9-6-4-5-7-10(9)19-2/h4-7H,3,8H2,1-2H3,(H,13,15,18)
InChIKeyNTJDWZNGETYUGI-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.34
Rot. Bonds5

About 2-methoxy-N-(2-propyltetrazol-5-yl)benzamide

2-methoxy-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 934910) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-methoxy-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID934910
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-methoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCn1nnc(NC(=O)c2ccccc2OC)n1
InChIInChI=1S/C12H15N5O2/c1-3-8-17-15-12(14-16-17)13-11(18)9-6-4-5-7-10(9)19-2/h4-7H,3,8H2,1-2H3,(H,13,15,18)
InChIKeyNTJDWZNGETYUGI-UHFFFAOYSA-N
XLogP1.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 2-methoxy-N-(2-propyltetrazol-5-yl)benzamide (CID 934910) is 2-methoxy-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 2-methoxy-N-(2-propyltetrazol-5-yl)benzamide is CCCn1nnc(NC(=O)c2ccccc2OC)n1.
What is the InChIKey of 2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is NTJDWZNGETYUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-8-17-15-12(14-16-17)13-11(18)9-6-4-5-7-10(9)19-2/h4-7H,3,8H2,1-2H3,(H,13,15,18).
What are the key properties of 2-methoxy-N-(2-propyltetrazol-5-yl)benzamide?
2-methoxy-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 261.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 934910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).