5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole

C3H3N7 — CID 23227822

IUPAC5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole
SMILESc1n[nH]c(-c2nn[nH]n2)n1
InChIInChI=1S/C3H3N7/c1-4-2(6-5-1)3-7-9-10-8-3/h1H,(H,4,5,6)(H,7,8,9,10)
InChIKeyFPNSQYRRKCTOMC-UHFFFAOYSA-N
MW137.11 g/mol
LogP-1.02
Rot. Bonds1

About 5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole

5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole (PubChem CID 23227822) has the molecular formula C3H3N7 and a molecular weight of 137.11 g/mol. Its IUPAC name is 5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole
PubChem CID23227822
Molecular FormulaC3H3N7
Molecular Weight137.11 g/mol
Exact Mass137.04
IUPAC Name5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole
SMILESc1n[nH]c(-c2nn[nH]n2)n1
InChIInChI=1S/C3H3N7/c1-4-2(6-5-1)3-7-9-10-8-3/h1H,(H,4,5,6)(H,7,8,9,10)
InChIKeyFPNSQYRRKCTOMC-UHFFFAOYSA-N
XLogP-1.02
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole 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-yl)-2H-tetrazole?
The IUPAC name of 5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole (CID 23227822) is 5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole.
What is the SMILES notation for 5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole?
The canonical SMILES for 5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole is c1n[nH]c(-c2nn[nH]n2)n1.
What is the InChIKey of 5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole?
The InChIKey is FPNSQYRRKCTOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N7/c1-4-2(6-5-1)3-7-9-10-8-3/h1H,(H,4,5,6)(H,7,8,9,10).
What are the key properties of 5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole?
5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole has a molecular weight of 137.11 g/mol, XLogP of -1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-1,2,4-triazol-5-yl)-2H-tetrazole is sourced from PubChem (CID 23227822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).