2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide

C10H9N9O2 — CID 135703080

IUPAC2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide
SMILESCc1cc(C(=O)Nc2nn[nH]n2)c(O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C10H9N9O2/c1-4-2-5(8-12-16-17-13-8)7(20)6(3-4)9(21)11-10-14-18-19-15-10/h2-3,20H,1H3,(H,12,13,16,17)(H2,11,14,15,18,19,21)
InChIKeyFTMQNPNLHCQJLH-UHFFFAOYSA-N
MW287.24 g/mol
LogP-0.35
Rot. Bonds3

About 2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide

2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide (PubChem CID 135703080) has the molecular formula C10H9N9O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide
PubChem CID135703080
Molecular FormulaC10H9N9O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide
SMILESCc1cc(C(=O)Nc2nn[nH]n2)c(O)c(-c2nn[nH]n2)c1
InChIInChI=1S/C10H9N9O2/c1-4-2-5(8-12-16-17-13-8)7(20)6(3-4)9(21)11-10-14-18-19-15-10/h2-3,20H,1H3,(H,12,13,16,17)(H2,11,14,15,18,19,21)
InChIKeyFTMQNPNLHCQJLH-UHFFFAOYSA-N
XLogP-0.35
TPSA158.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide (CID 135703080) is 2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide is Cc1cc(C(=O)Nc2nn[nH]n2)c(O)c(-c2nn[nH]n2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide?
The InChIKey is FTMQNPNLHCQJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N9O2/c1-4-2-5(8-12-16-17-13-8)7(20)6(3-4)9(21)11-10-14-18-19-15-10/h2-3,20H,1H3,(H,12,13,16,17)(H2,11,14,15,18,19,21).
What are the key properties of 2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide?
2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide has a molecular weight of 287.24 g/mol, XLogP of -0.35, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N,3-bis(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 135703080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).