N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride

C4H10ClN5 — CID 50988512

IUPACN-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride
SMILESCNC(C)c1nn[nH]n1.Cl
InChIInChI=1S/C4H9N5.ClH/c1-3(5-2)4-6-8-9-7-4;/h3,5H,1-2H3,(H,6,7,8,9);1H
InChIKeyPFPWTFIFQNFADL-UHFFFAOYSA-N
MW163.61 g/mol
LogP-0.10
Rot. Bonds2

About N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride

N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride (PubChem CID 50988512) has the molecular formula C4H10ClN5 and a molecular weight of 163.61 g/mol. Its IUPAC name is N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride
PubChem CID50988512
Molecular FormulaC4H10ClN5
Molecular Weight163.61 g/mol
Exact Mass163.06
IUPAC NameN-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride
SMILESCNC(C)c1nn[nH]n1.Cl
InChIInChI=1S/C4H9N5.ClH/c1-3(5-2)4-6-8-9-7-4;/h3,5H,1-2H3,(H,6,7,8,9);1H
InChIKeyPFPWTFIFQNFADL-UHFFFAOYSA-N
XLogP-0.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride (CID 50988512) is N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride is CNC(C)c1nn[nH]n1.Cl.
What is the InChIKey of N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride?
The InChIKey is PFPWTFIFQNFADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5.ClH/c1-3(5-2)4-6-8-9-7-4;/h3,5H,1-2H3,(H,6,7,8,9);1H.
What are the key properties of N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride?
N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride has a molecular weight of 163.61 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2H-tetrazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 50988512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).