5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole

C4H3N11 — CID 174768061

IUPAC5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole
SMILESC1=NN=NC1(c1nn[nH]n1)c1nn[nH]n1
InChIInChI=1S/C4H3N11/c1-4(10-11-5-1,2-6-12-13-7-2)3-8-14-15-9-3/h1H,(H,6,7,12,13)(H,8,9,14,15)
InChIKeyCRTHGODDVQIMLX-UHFFFAOYSA-N
MW205.15 g/mol
LogP-1.59
Rot. Bonds2

About 5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole

5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole (PubChem CID 174768061) has the molecular formula C4H3N11 and a molecular weight of 205.15 g/mol. Its IUPAC name is 5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole
PubChem CID174768061
Molecular FormulaC4H3N11
Molecular Weight205.15 g/mol
Exact Mass205.06
IUPAC Name5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole
SMILESC1=NN=NC1(c1nn[nH]n1)c1nn[nH]n1
InChIInChI=1S/C4H3N11/c1-4(10-11-5-1,2-6-12-13-7-2)3-8-14-15-9-3/h1H,(H,6,7,12,13)(H,8,9,14,15)
InChIKeyCRTHGODDVQIMLX-UHFFFAOYSA-N
XLogP-1.59
TPSA146.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[4-(2H-tetrazol-5-yl)triazol-4-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

Related Compounds

5-[4-(1H-1,2,4-triazol-5-yl)triazol-4-yl]-2H-tetrazole
CID 91074925
bis(2H-tetrazol-5-yl)azanide
CID 136738403
1-(2H-tetrazol-5-yl)cyclopentan-1-amine
CID 54594012
1-(2H-tetrazol-5-yl)cyclohexan-1-amine
CID 61149474
1-(2H-tetrazol-5-yl)cyclooctan-1-amine
CID 61150852
5-(1-tert-butylcyclopropyl)-2H-tetrazole
CID 118098643
5-(3-nitropyrazol-3-yl)-2H-tetrazole
CID 175503491
4-(4-methylphenyl)-4-(2H-triazol-4-yl)triazole
CID 174443356
5-(1-phenylcyclopentyl)-2H-tetrazole
CID 63079747
4-(1H-pyrrol-3-yl)-4-(2H-tetrazol-5-yl)piperidine
CID 116844690
2,2-bis(2H-tetrazol-5-yl)piperazine
CID 70150155
4-cyclohexa-1,5-dien-1-yl-4-(2H-tetrazol-5-yl)piperidine
CID 163507784

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole?
The IUPAC name of 5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole (CID 174768061) is 5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole?
The canonical SMILES for 5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole is C1=NN=NC1(c1nn[nH]n1)c1nn[nH]n1.
What is the InChIKey of 5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole?
The InChIKey is CRTHGODDVQIMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N11/c1-4(10-11-5-1,2-6-12-13-7-2)3-8-14-15-9-3/h1H,(H,6,7,12,13)(H,8,9,14,15).
What are the key properties of 5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole?
5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole has a molecular weight of 205.15 g/mol, XLogP of -1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2H-tetrazol-5-yl)triazol-4-yl]-2H-tetrazole is sourced from PubChem (CID 174768061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).