1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine

C12H16N4O — CID 114223097

IUPAC1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCCn1nncc1Oc1ccc(CNC)cc1
InChIInChI=1S/C12H16N4O/c1-3-16-12(9-14-15-16)17-11-6-4-10(5-7-11)8-13-2/h4-7,9,13H,3,8H2,1-2H3
InChIKeyZTYFCIUUAIGFSE-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.81
Rot. Bonds5

About 1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine

1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine (PubChem CID 114223097) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine
PubChem CID114223097
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine
SMILESCCn1nncc1Oc1ccc(CNC)cc1
InChIInChI=1S/C12H16N4O/c1-3-16-12(9-14-15-16)17-11-6-4-10(5-7-11)8-13-2/h4-7,9,13H,3,8H2,1-2H3
InChIKeyZTYFCIUUAIGFSE-UHFFFAOYSA-N
XLogP1.81
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine (CID 114223097) is 1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine is CCn1nncc1Oc1ccc(CNC)cc1.
What is the InChIKey of 1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine?
The InChIKey is ZTYFCIUUAIGFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-16-12(9-14-15-16)17-11-6-4-10(5-7-11)8-13-2/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of 1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine?
1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 114223097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).