chloroform;2H-tetrazole

C2H3Cl3N4 — CID 159918626

IUPACchloroform;2H-tetrazole
SMILESClC(Cl)Cl.c1nn[nH]n1
InChIInChI=1S/CHCl3.CH2N4/c2-1(3)4;1-2-4-5-3-1/h1H;1H,(H,2,3,4,5)
InChIKeyNYCOOVPUZHILHV-UHFFFAOYSA-N
MW189.43 g/mol
LogP1.19
Rot. Bonds

About chloroform;2H-tetrazole

chloroform;2H-tetrazole (PubChem CID 159918626) has the molecular formula C2H3Cl3N4 and a molecular weight of 189.43 g/mol. Its IUPAC name is chloroform;2H-tetrazole.

Molecular Properties

Compound Namechloroform;2H-tetrazole
PubChem CID159918626
Molecular FormulaC2H3Cl3N4
Molecular Weight189.43 g/mol
Exact Mass187.94
IUPAC Namechloroform;2H-tetrazole
SMILESClC(Cl)Cl.c1nn[nH]n1
InChIInChI=1S/CHCl3.CH2N4/c2-1(3)4;1-2-4-5-3-1/h1H;1H,(H,2,3,4,5)
InChIKeyNYCOOVPUZHILHV-UHFFFAOYSA-N
XLogP1.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze chloroform;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

CID 172841024
CID 172841024
2H-tetrazole;hydrochloride
CID 67051925
tris(2H-tetrazole);dihydrobromide
CID 174535995
azane;2H-tetrazole;hydrobromide
CID 174552707
lithium;hydride;2H-tetrazole
CID 174768353
2-methylbutane;2H-tetrazole
CID 161238291
bis(N-propan-2-ylpropan-2-amine);bis(2H-tetrazole)
CID 173164989
molecular hydrogen;2H-tetrazole;2H-triazole
CID 153378769
oxido(oxo)azanium;2H-tetrazole;iodide
CID 139326837
methyl acetate;2H-tetrazole
CID 174965255
2H-tetrazole;4H-triazole
CID 167579013
pent-1-ene;2H-tetrazole
CID 175470058

Frequently Asked Questions

What is the IUPAC name of chloroform;2H-tetrazole?
The IUPAC name of chloroform;2H-tetrazole (CID 159918626) is chloroform;2H-tetrazole.
What is the SMILES notation for chloroform;2H-tetrazole?
The canonical SMILES for chloroform;2H-tetrazole is ClC(Cl)Cl.c1nn[nH]n1.
What is the InChIKey of chloroform;2H-tetrazole?
The InChIKey is NYCOOVPUZHILHV-UHFFFAOYSA-N. The full InChI is InChI=1S/CHCl3.CH2N4/c2-1(3)4;1-2-4-5-3-1/h1H;1H,(H,2,3,4,5).
What are the key properties of chloroform;2H-tetrazole?
chloroform;2H-tetrazole has a molecular weight of 189.43 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;2H-tetrazole is sourced from PubChem (CID 159918626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).