N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide

C13H12N6O — CID 106385274

IUPACN-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C13H12N6O/c20-13(15-8-9-5-6-14-7-9)11-3-1-10(2-4-11)12-16-18-19-17-12/h1-7,14H,8H2,(H,15,20)(H,16,17,18,19)
InChIKeyOMURQYYIKJLMQG-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.12
Rot. Bonds4

About N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide

N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 106385274) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID106385274
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C13H12N6O/c20-13(15-8-9-5-6-14-7-9)11-3-1-10(2-4-11)12-16-18-19-17-12/h1-7,14H,8H2,(H,15,20)(H,16,17,18,19)
InChIKeyOMURQYYIKJLMQG-UHFFFAOYSA-N
XLogP1.12
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
CID 106385210
3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782670
4-(diethylsulfamoyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782686
N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
2-(methylamino)-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 119778407
N-ethoxy-4-(2H-tetrazol-5-yl)benzamide
CID 60717193
3-amino-4-bromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106384894
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385065
N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487562
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide (CID 106385274) is N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide is O=C(NCc1cc[nH]c1)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is OMURQYYIKJLMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c20-13(15-8-9-5-6-14-7-9)11-3-1-10(2-4-11)12-16-18-19-17-12/h1-7,14H,8H2,(H,15,20)(H,16,17,18,19).
What are the key properties of N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide?
N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 268.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 106385274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).