N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide

C11H9N5O2 — CID 925605

IUPACN-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCn1nnnc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C11H9N5O2/c1-16-11(13-14-15-16)12-10(17)9-6-7-4-2-3-5-8(7)18-9/h2-6H,1H3,(H,12,13,15,17)
InChIKeyYNDPVIWLWMMXGG-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.21
Rot. Bonds2

About N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide

N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 925605) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID925605
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC NameN-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCn1nnnc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C11H9N5O2/c1-16-11(13-14-15-16)12-10(17)9-6-7-4-2-3-5-8(7)18-9/h2-6H,1H3,(H,12,13,15,17)
InChIKeyYNDPVIWLWMMXGG-UHFFFAOYSA-N
XLogP1.21
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide (CID 925605) is N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide is Cn1nnnc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is YNDPVIWLWMMXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c1-16-11(13-14-15-16)12-10(17)9-6-7-4-2-3-5-8(7)18-9/h2-6H,1H3,(H,12,13,15,17).
What are the key properties of N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide?
N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 243.23 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltetrazol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 925605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).