4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

C17H16N10O — CID 119062894

IUPAC4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cc1
InChIInChI=1S/C17H16N10O/c1-11-22-25-26-27(11)10-12-2-4-13(5-3-12)17(28)20-9-15-21-16(24-23-15)14-8-18-6-7-19-14/h2-8H,9-10H2,1H3,(H,20,28)(H,21,23,24)
InChIKeyJXTGMWZYGVJOJO-UHFFFAOYSA-N
MW376.38 g/mol
LogP0.53
Rot. Bonds6

About 4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide

4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (PubChem CID 119062894) has the molecular formula C17H16N10O and a molecular weight of 376.38 g/mol. Its IUPAC name is 4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
PubChem CID119062894
Molecular FormulaC17H16N10O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCc1nnnn1Cc1ccc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cc1
InChIInChI=1S/C17H16N10O/c1-11-22-25-26-27(11)10-12-2-4-13(5-3-12)17(28)20-9-15-21-16(24-23-15)14-8-18-6-7-19-14/h2-8H,9-10H2,1H3,(H,20,28)(H,21,23,24)
InChIKeyJXTGMWZYGVJOJO-UHFFFAOYSA-N
XLogP0.53
TPSA140.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The IUPAC name of 4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide (CID 119062894) is 4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is Cc1nnnn1Cc1ccc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)cc1.
What is the InChIKey of 4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The InChIKey is JXTGMWZYGVJOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N10O/c1-11-22-25-26-27(11)10-12-2-4-13(5-3-12)17(28)20-9-15-21-16(24-23-15)14-8-18-6-7-19-14/h2-8H,9-10H2,1H3,(H,20,28)(H,21,23,24).
What are the key properties of 4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide has a molecular weight of 376.38 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyltetrazol-1-yl)methyl]-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide is sourced from PubChem (CID 119062894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).