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

C9H18N4O — CID 81081213

IUPAC2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCOCC(N)c1nnc(C)n1C(C)C
InChIInChI=1S/C9H18N4O/c1-6(2)13-7(3)11-12-9(13)8(10)5-14-4/h6,8H,5,10H2,1-4H3
InChIKeyVBUUZJAAVHDNDE-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.81
Rot. Bonds4

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

2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 81081213) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID81081213
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCOCC(N)c1nnc(C)n1C(C)C
InChIInChI=1S/C9H18N4O/c1-6(2)13-7(3)11-12-9(13)8(10)5-14-4/h6,8H,5,10H2,1-4H3
InChIKeyVBUUZJAAVHDNDE-UHFFFAOYSA-N
XLogP0.81
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 81081213) is 2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is COCC(N)c1nnc(C)n1C(C)C.
What is the InChIKey of 2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is VBUUZJAAVHDNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-6(2)13-7(3)11-12-9(13)8(10)5-14-4/h6,8H,5,10H2,1-4H3.
What are the key properties of 2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 198.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 81081213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).