5-(2H-triazol-4-yl)-2H-tetrazole;hydrate

C3H5N7O — CID 175098819

IUPAC5-(2H-triazol-4-yl)-2H-tetrazole;hydrate
SMILESO.c1n[nH]nc1-c1nn[nH]n1
InChIInChI=1S/C3H3N7.H2O/c1-2(5-8-4-1)3-6-9-10-7-3;/h1H,(H,4,5,8)(H,6,7,9,10);1H2
InChIKeyDCTAAUASDLMQBC-UHFFFAOYSA-N
MW155.12 g/mol
LogP-1.84
Rot. Bonds1

About 5-(2H-triazol-4-yl)-2H-tetrazole;hydrate

5-(2H-triazol-4-yl)-2H-tetrazole;hydrate (PubChem CID 175098819) has the molecular formula C3H5N7O and a molecular weight of 155.12 g/mol. Its IUPAC name is 5-(2H-triazol-4-yl)-2H-tetrazole;hydrate.

Molecular Properties

Compound Name5-(2H-triazol-4-yl)-2H-tetrazole;hydrate
PubChem CID175098819
Molecular FormulaC3H5N7O
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name5-(2H-triazol-4-yl)-2H-tetrazole;hydrate
SMILESO.c1n[nH]nc1-c1nn[nH]n1
InChIInChI=1S/C3H3N7.H2O/c1-2(5-8-4-1)3-6-9-10-7-3;/h1H,(H,4,5,8)(H,6,7,9,10);1H2
InChIKeyDCTAAUASDLMQBC-UHFFFAOYSA-N
XLogP-1.84
TPSA127.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2H-triazol-4-yl)-2H-tetrazole;hydrate 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

4-(2H-triazol-4-yl)phenol;hydrate
CID 174757951
3,5-bis(2H-triazol-4-yl)-1H-1,2,4-triazole
CID 57317600
5-[4-(2H-tetrazol-5-yl)-1H-imidazol-5-yl]-2H-tetrazole;hydrate
CID 139076655
5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952
5-[5-(2H-triazol-4-yl)hexan-2-yl]-2H-tetrazole
CID 137437200
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone
CID 171794490
3-(2H-tetrazol-5-yl)-1,2,4-thiadiazole
CID 118412817
CID 175020702
CID 175020702
1,3-dimethyl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
CID 166734558
4-(2H-triazol-4-yl)benzoic acid
CID 58971816
4-(4-chloro-3,5-difluorophenyl)-2H-triazole
CID 166059838

Frequently Asked Questions

What is the IUPAC name of 5-(2H-triazol-4-yl)-2H-tetrazole;hydrate?
The IUPAC name of 5-(2H-triazol-4-yl)-2H-tetrazole;hydrate (CID 175098819) is 5-(2H-triazol-4-yl)-2H-tetrazole;hydrate.
What is the SMILES notation for 5-(2H-triazol-4-yl)-2H-tetrazole;hydrate?
The canonical SMILES for 5-(2H-triazol-4-yl)-2H-tetrazole;hydrate is O.c1n[nH]nc1-c1nn[nH]n1.
What is the InChIKey of 5-(2H-triazol-4-yl)-2H-tetrazole;hydrate?
The InChIKey is DCTAAUASDLMQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N7.H2O/c1-2(5-8-4-1)3-6-9-10-7-3;/h1H,(H,4,5,8)(H,6,7,9,10);1H2.
What are the key properties of 5-(2H-triazol-4-yl)-2H-tetrazole;hydrate?
5-(2H-triazol-4-yl)-2H-tetrazole;hydrate has a molecular weight of 155.12 g/mol, XLogP of -1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-triazol-4-yl)-2H-tetrazole;hydrate is sourced from PubChem (CID 175098819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).