5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile

C10H8N4O — CID 5076757

IUPAC5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
SMILESCOc1ccc(-c2n[nH]nc2C#N)cc1
InChIInChI=1S/C10H8N4O/c1-15-8-4-2-7(3-5-8)10-9(6-11)12-14-13-10/h2-5H,1H3,(H,12,13,14)
InChIKeyKHRXUZBXDSNCBO-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.35
Rot. Bonds2

About 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile

5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile (PubChem CID 5076757) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
PubChem CID5076757
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
SMILESCOc1ccc(-c2n[nH]nc2C#N)cc1
InChIInChI=1S/C10H8N4O/c1-15-8-4-2-7(3-5-8)10-9(6-11)12-14-13-10/h2-5H,1H3,(H,12,13,14)
InChIKeyKHRXUZBXDSNCBO-UHFFFAOYSA-N
XLogP1.35
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile 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 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile?
The IUPAC name of 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile (CID 5076757) is 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile is COc1ccc(-c2n[nH]nc2C#N)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile?
The InChIKey is KHRXUZBXDSNCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-15-8-4-2-7(3-5-8)10-9(6-11)12-14-13-10/h2-5H,1H3,(H,12,13,14).
What are the key properties of 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile?
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile has a molecular weight of 200.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile is sourced from PubChem (CID 5076757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).