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

C4H11Cl2N5 — CID 54594509

IUPACN-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride
SMILESCNCCc1nn[nH]n1.Cl.Cl
InChIInChI=1S/C4H9N5.2ClH/c1-5-3-2-4-6-8-9-7-4;;/h5H,2-3H2,1H3,(H,6,7,8,9);2*1H
InChIKeyFCFGDJNXKMHOKJ-UHFFFAOYSA-N
MW200.07 g/mol
LogP-0.19
Rot. Bonds3

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

N-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride (PubChem CID 54594509) has the molecular formula C4H11Cl2N5 and a molecular weight of 200.07 g/mol. Its IUPAC name is N-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride
PubChem CID54594509
Molecular FormulaC4H11Cl2N5
Molecular Weight200.07 g/mol
Exact Mass199.04
IUPAC NameN-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride
SMILESCNCCc1nn[nH]n1.Cl.Cl
InChIInChI=1S/C4H9N5.2ClH/c1-5-3-2-4-6-8-9-7-4;;/h5H,2-3H2,1H3,(H,6,7,8,9);2*1H
InChIKeyFCFGDJNXKMHOKJ-UHFFFAOYSA-N
XLogP-0.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.07
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride?
The IUPAC name of N-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride (CID 54594509) is N-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride.
What is the SMILES notation for N-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride?
The canonical SMILES for N-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride is CNCCc1nn[nH]n1.Cl.Cl.
What is the InChIKey of N-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride?
The InChIKey is FCFGDJNXKMHOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5.2ClH/c1-5-3-2-4-6-8-9-7-4;;/h5H,2-3H2,1H3,(H,6,7,8,9);2*1H.
What are the key properties of N-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride?
N-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride has a molecular weight of 200.07 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2H-tetrazol-5-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 54594509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).