2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine

C12H16N4O — CID 63997508

IUPAC2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine
SMILESCOc1cccc(-n2cc(C(C)(C)N)nn2)c1
InChIInChI=1S/C12H16N4O/c1-12(2,13)11-8-16(15-14-11)9-5-4-6-10(7-9)17-3/h4-8H,13H2,1-3H3
InChIKeyOHVJDANOGPJKFW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.47
Rot. Bonds3

About 2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine

2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine (PubChem CID 63997508) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine
PubChem CID63997508
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine
SMILESCOc1cccc(-n2cc(C(C)(C)N)nn2)c1
InChIInChI=1S/C12H16N4O/c1-12(2,13)11-8-16(15-14-11)9-5-4-6-10(7-9)17-3/h4-8H,13H2,1-3H3
InChIKeyOHVJDANOGPJKFW-UHFFFAOYSA-N
XLogP1.47
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine (CID 63997508) is 2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine is COc1cccc(-n2cc(C(C)(C)N)nn2)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine?
The InChIKey is OHVJDANOGPJKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,13)11-8-16(15-14-11)9-5-4-6-10(7-9)17-3/h4-8H,13H2,1-3H3.
What are the key properties of 2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine?
2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)triazol-4-yl]propan-2-amine is sourced from PubChem (CID 63997508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).