5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole

C5H6N6 — CID 12581812

IUPAC5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole
SMILESc1n[nH]c(Cc2ncn[nH]2)n1
InChIInChI=1S/C5H6N6/c1(4-6-2-8-10-4)5-7-3-9-11-5/h2-3H,1H2,(H,6,8,10)(H,7,9,11)
InChIKeyITSTUNVMBZXJOF-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.49
Rot. Bonds2

About 5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole

5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole (PubChem CID 12581812) has the molecular formula C5H6N6 and a molecular weight of 150.15 g/mol. Its IUPAC name is 5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole
PubChem CID12581812
Molecular FormulaC5H6N6
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole
SMILESc1n[nH]c(Cc2ncn[nH]2)n1
InChIInChI=1S/C5H6N6/c1(4-6-2-8-10-4)5-7-3-9-11-5/h2-3H,1H2,(H,6,8,10)(H,7,9,11)
InChIKeyITSTUNVMBZXJOF-UHFFFAOYSA-N
XLogP-0.49
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole 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-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole (CID 12581812) is 5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole is c1n[nH]c(Cc2ncn[nH]2)n1.
What is the InChIKey of 5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole?
The InChIKey is ITSTUNVMBZXJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c1(4-6-2-8-10-4)5-7-3-9-11-5/h2-3H,1H2,(H,6,8,10)(H,7,9,11).
What are the key properties of 5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole?
5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole has a molecular weight of 150.15 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 12581812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).