N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine

C8H14N8 — CID 107050427

IUPACN-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1cn[nH]n1
InChIInChI=1S/C8H14N8/c1-3-9-6(7-5-10-14-11-7)4-8-12-15-16(2)13-8/h5-6,9H,3-4H2,1-2H3,(H,10,11,14)
InChIKeySOTKGUMSBBWGGM-UHFFFAOYSA-N
MW222.26 g/mol
LogP-0.78
Rot. Bonds5

About N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine

N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine (PubChem CID 107050427) has the molecular formula C8H14N8 and a molecular weight of 222.26 g/mol. Its IUPAC name is N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
PubChem CID107050427
Molecular FormulaC8H14N8
Molecular Weight222.26 g/mol
Exact Mass222.13
IUPAC NameN-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine
SMILESCCNC(Cc1nnn(C)n1)c1cn[nH]n1
InChIInChI=1S/C8H14N8/c1-3-9-6(7-5-10-14-11-7)4-8-12-15-16(2)13-8/h5-6,9H,3-4H2,1-2H3,(H,10,11,14)
InChIKeySOTKGUMSBBWGGM-UHFFFAOYSA-N
XLogP-0.78
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine
CID 107066305
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine
CID 82876819
N-ethyl-1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051307
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 107064997
N-ethyl-1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048584
N-ethyl-1-(2-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049108
1-(2,3-dimethylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064894
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065425
1-(3-bromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048532
1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107947182
1-(3-bromo-2-pyridinyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050879
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065389

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine (CID 107050427) is N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine is CCNC(Cc1nnn(C)n1)c1cn[nH]n1.
What is the InChIKey of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine?
The InChIKey is SOTKGUMSBBWGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N8/c1-3-9-6(7-5-10-14-11-7)4-8-12-15-16(2)13-8/h5-6,9H,3-4H2,1-2H3,(H,10,11,14).
What are the key properties of N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine?
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine has a molecular weight of 222.26 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methyltetrazol-5-yl)-1-(2H-triazol-4-yl)ethanamine is sourced from PubChem (CID 107050427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).