N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride

C5H12Cl2N4 — CID 154853243

IUPACN-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride
SMILESCNCCn1ccnn1.Cl.Cl
InChIInChI=1S/C5H10N4.2ClH/c1-6-2-4-9-5-3-7-8-9;;/h3,5-6H,2,4H2,1H3;2*1H
InChIKeyOJZSBLDVZZYLHR-UHFFFAOYSA-N
MW199.09 g/mol
LogP0.34
Rot. Bonds3

About N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride

N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride (PubChem CID 154853243) has the molecular formula C5H12Cl2N4 and a molecular weight of 199.09 g/mol. Its IUPAC name is N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride
PubChem CID154853243
Molecular FormulaC5H12Cl2N4
Molecular Weight199.09 g/mol
Exact Mass198.04
IUPAC NameN-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride
SMILESCNCCn1ccnn1.Cl.Cl
InChIInChI=1S/C5H10N4.2ClH/c1-6-2-4-9-5-3-7-8-9;;/h3,5-6H,2,4H2,1H3;2*1H
InChIKeyOJZSBLDVZZYLHR-UHFFFAOYSA-N
XLogP0.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.09
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-1,2,3-Triazol-1-yl)ethanamine
CID 22561972
3-(1H-1,2,3-triazol-1-yl)propan-1-amine dihydrochloride
CID 53435058
4-(1H-1,2,3-triazol-1-yl)butan-1-amine
CID 75355685
1-(azetidin-3-yl)-1H-1,2,3-triazole dihydrochloride
CID 137838124
1-Amino-3-ethyl-1,2,3-triazolium bromide
CID 11275549
1-(azetidin-3-yl)-1H-1,2,3-triazole
CID 19005993
3-(1H-1,2,3-triazol-1-yl)propan-1-amine
CID 20185008
1-(pyrrolidin-3-yl)-1H-1,2,3-triazole dihydrochloride
CID 112758024
1-((azetidin-3-yl)methyl)-1H-1,2,3-triazole dihydrochloride
CID 121605684
2-(1H-1,2,3-triazol-1-yl)ethan-1-amine dihydrochloride
CID 122156614
2-(1H-1,2,3-triazol-1-yl)ethanimidamide hydrochloride
CID 137951757
1-Ethyl-1H-1,2,3-triazole
CID 10887837

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride?
The IUPAC name of N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride (CID 154853243) is N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride.
What is the SMILES notation for N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride?
The canonical SMILES for N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride is CNCCn1ccnn1.Cl.Cl.
What is the InChIKey of N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride?
The InChIKey is OJZSBLDVZZYLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4.2ClH/c1-6-2-4-9-5-3-7-8-9;;/h3,5-6H,2,4H2,1H3;2*1H.
What are the key properties of N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride?
N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride has a molecular weight of 199.09 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(triazol-1-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 154853243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).