4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide

C11H7N5O3 — CID 90673470

IUPAC4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1ccc2occc(=O)c2c1
InChIInChI=1S/C11H7N5O3/c17-8-3-4-19-9-2-1-6(5-7(8)9)10(18)12-11-13-15-16-14-11/h1-5H,(H2,12,13,14,15,16,18)
InChIKeyHAJDBHNXLJWHHP-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.56
Rot. Bonds2

About 4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide

4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide (PubChem CID 90673470) has the molecular formula C11H7N5O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is 4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide
PubChem CID90673470
Molecular FormulaC11H7N5O3
Molecular Weight257.21 g/mol
Exact Mass257.05
IUPAC Name4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1ccc2occc(=O)c2c1
InChIInChI=1S/C11H7N5O3/c17-8-3-4-19-9-2-1-6(5-7(8)9)10(18)12-11-13-15-16-14-11/h1-5H,(H2,12,13,14,15,16,18)
InChIKeyHAJDBHNXLJWHHP-UHFFFAOYSA-N
XLogP0.56
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide?
The IUPAC name of 4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide (CID 90673470) is 4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide.
What is the SMILES notation for 4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide?
The canonical SMILES for 4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide is O=C(Nc1nn[nH]n1)c1ccc2occc(=O)c2c1.
What is the InChIKey of 4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide?
The InChIKey is HAJDBHNXLJWHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O3/c17-8-3-4-19-9-2-1-6(5-7(8)9)10(18)12-11-13-15-16-14-11/h1-5H,(H2,12,13,14,15,16,18).
What are the key properties of 4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide?
4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide has a molecular weight of 257.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2H-tetrazol-5-yl)chromene-6-carboxamide is sourced from PubChem (CID 90673470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).