2H-tetrazole;hydrochloride

CH3ClN4 — CID 67051925

IUPAC2H-tetrazole;hydrochloride
SMILESCl.c1nn[nH]n1
InChIInChI=1S/CH2N4.ClH/c1-2-4-5-3-1;/h1H,(H,2,3,4,5);1H
InChIKeyJXCNUCFTHLGXDQ-UHFFFAOYSA-N
MW106.52 g/mol
LogP-0.38
Rot. Bonds

About 2H-tetrazole;hydrochloride

2H-tetrazole;hydrochloride (PubChem CID 67051925) has the molecular formula CH3ClN4 and a molecular weight of 106.52 g/mol. Its IUPAC name is 2H-tetrazole;hydrochloride.

Molecular Properties

Compound Name2H-tetrazole;hydrochloride
PubChem CID67051925
Molecular FormulaCH3ClN4
Molecular Weight106.52 g/mol
Exact Mass106.00
IUPAC Name2H-tetrazole;hydrochloride
SMILESCl.c1nn[nH]n1
InChIInChI=1S/CH2N4.ClH/c1-2-4-5-3-1;/h1H,(H,2,3,4,5);1H
InChIKeyJXCNUCFTHLGXDQ-UHFFFAOYSA-N
XLogP-0.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.52
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-tetrazole;hydrochloride?
The IUPAC name of 2H-tetrazole;hydrochloride (CID 67051925) is 2H-tetrazole;hydrochloride.
What is the SMILES notation for 2H-tetrazole;hydrochloride?
The canonical SMILES for 2H-tetrazole;hydrochloride is Cl.c1nn[nH]n1.
What is the InChIKey of 2H-tetrazole;hydrochloride?
The InChIKey is JXCNUCFTHLGXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N4.ClH/c1-2-4-5-3-1;/h1H,(H,2,3,4,5);1H.
What are the key properties of 2H-tetrazole;hydrochloride?
2H-tetrazole;hydrochloride has a molecular weight of 106.52 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-tetrazole;hydrochloride is sourced from PubChem (CID 67051925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).