(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine

C8H16N4O — CID 165459865

IUPAC(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1[C@H](N)COC
InChIInChI=1S/C8H16N4O/c1-3-4-12-8(5-10-11-12)7(9)6-13-2/h5,7H,3-4,6,9H2,1-2H3/t7-/m1/s1
InChIKeyIOWAIXLXZYYYMU-SSDOTTSWSA-N
MW184.24 g/mol
LogP0.33
Rot. Bonds5

About (1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine

(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 165459865) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is (1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID165459865
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1[C@H](N)COC
InChIInChI=1S/C8H16N4O/c1-3-4-12-8(5-10-11-12)7(9)6-13-2/h5,7H,3-4,6,9H2,1-2H3/t7-/m1/s1
InChIKeyIOWAIXLXZYYYMU-SSDOTTSWSA-N
XLogP0.33
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine
CID 165457739
N',N'-dimethyl-1-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114688446
(1S)-1-(3-benzyltriazol-4-yl)-2-methoxyethanamine
CID 165452487
2-[5-[(1S)-1-amino-2-methoxyethyl]triazol-1-yl]acetamide
CID 165459946
3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182293
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
2-cyclopentylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687956
2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687287
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of (1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine (CID 165459865) is (1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for (1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1[C@H](N)COC.
What is the InChIKey of (1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is IOWAIXLXZYYYMU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N4O/c1-3-4-12-8(5-10-11-12)7(9)6-13-2/h5,7H,3-4,6,9H2,1-2H3/t7-/m1/s1.
What are the key properties of (1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine?
(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 184.24 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 165459865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).