2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine

C8H16N4O — CID 106110810

IUPAC2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESCOC(CN)c1nc(C(C)C)n[nH]1
InChIInChI=1S/C8H16N4O/c1-5(2)7-10-8(12-11-7)6(4-9)13-3/h5-6H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyQBAAFLLFEJPKLZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.57
Rot. Bonds4

About 2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine

2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 106110810) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID106110810
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESCOC(CN)c1nc(C(C)C)n[nH]1
InChIInChI=1S/C8H16N4O/c1-5(2)7-10-8(12-11-7)6(4-9)13-3/h5-6H,4,9H2,1-3H3,(H,10,11,12)
InChIKeyQBAAFLLFEJPKLZ-UHFFFAOYSA-N
XLogP0.57
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine (CID 106110810) is 2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine is COC(CN)c1nc(C(C)C)n[nH]1.
What is the InChIKey of 2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is QBAAFLLFEJPKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-5(2)7-10-8(12-11-7)6(4-9)13-3/h5-6H,4,9H2,1-3H3,(H,10,11,12).
What are the key properties of 2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 184.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 106110810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).