2H-triazole;hydrate

C2H5N3O — CID 19755304

IUPAC2H-triazole;hydrate
SMILESO.c1cn[nH]n1
InChIInChI=1S/C2H3N3.H2O/c1-2-4-5-3-1;/h1-2H,(H,3,4,5);1H2
InChIKeyIDDATTQMCPGIMG-UHFFFAOYSA-N
MW87.08 g/mol
LogP-1.02
Rot. Bonds

About 2H-triazole;hydrate

2H-triazole;hydrate (PubChem CID 19755304) has the molecular formula C2H5N3O and a molecular weight of 87.08 g/mol. Its IUPAC name is 2H-triazole;hydrate.

Molecular Properties

Compound Name2H-triazole;hydrate
PubChem CID19755304
Molecular FormulaC2H5N3O
Molecular Weight87.08 g/mol
Exact Mass87.04
IUPAC Name2H-triazole;hydrate
SMILESO.c1cn[nH]n1
InChIInChI=1S/C2H3N3.H2O/c1-2-4-5-3-1;/h1-2H,(H,3,4,5);1H2
InChIKeyIDDATTQMCPGIMG-UHFFFAOYSA-N
XLogP-1.02
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-1,2,3-Triazole
CID 67516
5-Iodo-1,2,3-triazole
CID 19365942
1H-1,2,3-Triazol-1-amine
CID 3825723
1H-1,2,3-triazol-1-amine hydrochloride
CID 121552667
4-Fluoro-2H-1,2,3-triazole
CID 19365949
1-Hydroxy-1,2,3-triazole
CID 10877052
1,2,3-Triazole 2-oxide
CID 6453975
1,3-Diaza-2-azanidacyclopenta-3,5-diene
CID 20248821
2H-triazol-4-ylphosphonic acid
CID 20490433
Silyltriazole
CID 22051848
Triazole hydrochloride
CID 22133982
acetonitrile;2H-triazole
CID 22160848

Frequently Asked Questions

What is the IUPAC name of 2H-triazole;hydrate?
The IUPAC name of 2H-triazole;hydrate (CID 19755304) is 2H-triazole;hydrate.
What is the SMILES notation for 2H-triazole;hydrate?
The canonical SMILES for 2H-triazole;hydrate is O.c1cn[nH]n1.
What is the InChIKey of 2H-triazole;hydrate?
The InChIKey is IDDATTQMCPGIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3.H2O/c1-2-4-5-3-1;/h1-2H,(H,3,4,5);1H2.
What are the key properties of 2H-triazole;hydrate?
2H-triazole;hydrate has a molecular weight of 87.08 g/mol, XLogP of -1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-triazole;hydrate is sourced from PubChem (CID 19755304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).