1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine

C12H16N4 — CID 66206463

IUPAC1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine
SMILESCCc1ccc(-n2cc(CNC)nn2)cc1
InChIInChI=1S/C12H16N4/c1-3-10-4-6-12(7-5-10)16-9-11(8-13-2)14-15-16/h4-7,9,13H,3,8H2,1-2H3
InChIKeyTWOCZQDAWRGECH-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.55
Rot. Bonds4

About 1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine

1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine (PubChem CID 66206463) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine
PubChem CID66206463
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine
SMILESCCc1ccc(-n2cc(CNC)nn2)cc1
InChIInChI=1S/C12H16N4/c1-3-10-4-6-12(7-5-10)16-9-11(8-13-2)14-15-16/h4-7,9,13H,3,8H2,1-2H3
InChIKeyTWOCZQDAWRGECH-UHFFFAOYSA-N
XLogP1.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine (CID 66206463) is 1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine is CCc1ccc(-n2cc(CNC)nn2)cc1.
What is the InChIKey of 1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine?
The InChIKey is TWOCZQDAWRGECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-10-4-6-12(7-5-10)16-9-11(8-13-2)14-15-16/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of 1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine?
1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66206463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).