1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine

C8H16N4O — CID 106282082

IUPAC1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
SMILESCOCC(C)NC(C)c1ncn[nH]1
InChIInChI=1S/C8H16N4O/c1-6(4-13-3)11-7(2)8-9-5-10-12-8/h5-7,11H,4H2,1-3H3,(H,9,10,12)
InChIKeyJRWNIIXSPYEMDB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.49
Rot. Bonds5

About 1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine

1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine (PubChem CID 106282082) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
PubChem CID106282082
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
SMILESCOCC(C)NC(C)c1ncn[nH]1
InChIInChI=1S/C8H16N4O/c1-6(4-13-3)11-7(2)8-9-5-10-12-8/h5-7,11H,4H2,1-3H3,(H,9,10,12)
InChIKeyJRWNIIXSPYEMDB-UHFFFAOYSA-N
XLogP0.49
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol
CID 106281667
3-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-1-sulfonamide
CID 103885469
1-(4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167978
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607
1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
CID 106282005
2-(2-methoxyethylsulfanyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725849
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
2-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 106281568
1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281938
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106281955
1-amino-2-(3-methoxypropyl)-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106283168
(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 89012683

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine (CID 106282082) is 1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine is COCC(C)NC(C)c1ncn[nH]1.
What is the InChIKey of 1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The InChIKey is JRWNIIXSPYEMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(4-13-3)11-7(2)8-9-5-10-12-8/h5-7,11H,4H2,1-3H3,(H,9,10,12).
What are the key properties of 1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine has a molecular weight of 184.24 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 106282082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).