N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride

C4H11Cl2N5 — CID 50988345

IUPACN-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride
SMILESCCNCc1nn[nH]n1.Cl.Cl
InChIInChI=1S/C4H9N5.2ClH/c1-2-5-3-4-6-8-9-7-4;;/h5H,2-3H2,1H3,(H,6,7,8,9);2*1H
InChIKeyDADLEHXPBWUKLY-UHFFFAOYSA-N
MW200.07 g/mol
LogP0.15
Rot. Bonds3

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

N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride (PubChem CID 50988345) has the molecular formula C4H11Cl2N5 and a molecular weight of 200.07 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride
PubChem CID50988345
Molecular FormulaC4H11Cl2N5
Molecular Weight200.07 g/mol
Exact Mass199.04
IUPAC NameN-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride
SMILESCCNCc1nn[nH]n1.Cl.Cl
InChIInChI=1S/C4H9N5.2ClH/c1-2-5-3-4-6-8-9-7-4;;/h5H,2-3H2,1H3,(H,6,7,8,9);2*1H
InChIKeyDADLEHXPBWUKLY-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride (CID 50988345) is N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride is CCNCc1nn[nH]n1.Cl.Cl.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride?
The InChIKey is DADLEHXPBWUKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5.2ClH/c1-2-5-3-4-6-8-9-7-4;;/h5H,2-3H2,1H3,(H,6,7,8,9);2*1H.
What are the key properties of N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride?
N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride has a molecular weight of 200.07 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)ethanamine;dihydrochloride is sourced from PubChem (CID 50988345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).