2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide

C9H9N5O3 — CID 107723429

IUPAC2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccc(O)cc2O)n1
InChIInChI=1S/C9H9N5O3/c1-14-12-9(11-13-14)10-8(17)6-3-2-5(15)4-7(6)16/h2-4,15-16H,1H3,(H,10,12,17)
InChIKeyQBZQFWUYEABPGK-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.13
Rot. Bonds2

About 2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide

2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 107723429) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID107723429
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccc(O)cc2O)n1
InChIInChI=1S/C9H9N5O3/c1-14-12-9(11-13-14)10-8(17)6-3-2-5(15)4-7(6)16/h2-4,15-16H,1H3,(H,10,12,17)
InChIKeyQBZQFWUYEABPGK-UHFFFAOYSA-N
XLogP-0.13
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide (CID 107723429) is 2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide is Cn1nnc(NC(=O)c2ccc(O)cc2O)n1.
What is the InChIKey of 2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is QBZQFWUYEABPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-14-12-9(11-13-14)10-8(17)6-3-2-5(15)4-7(6)16/h2-4,15-16H,1H3,(H,10,12,17).
What are the key properties of 2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide?
2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 235.20 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 107723429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).