N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide

C10H11N5O — CID 110499436

IUPACN-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCc1cccc(NC(=O)Cc2nn[nH]n2)c1
InChIInChI=1S/C10H11N5O/c1-7-3-2-4-8(5-7)11-10(16)6-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyYVLBVWACJMMCMV-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.69
Rot. Bonds3

About N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110499436) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110499436
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESCc1cccc(NC(=O)Cc2nn[nH]n2)c1
InChIInChI=1S/C10H11N5O/c1-7-3-2-4-8(5-7)11-10(16)6-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyYVLBVWACJMMCMV-UHFFFAOYSA-N
XLogP0.69
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 110499436) is N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide is Cc1cccc(NC(=O)Cc2nn[nH]n2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is YVLBVWACJMMCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7-3-2-4-8(5-7)11-10(16)6-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,11,16)(H,12,13,14,15).
What are the key properties of N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 217.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110499436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).