3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine

C12H16N4O — CID 114222411

IUPAC3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine
SMILESCCn1nncc1NCc1ccc(OC)cc1
InChIInChI=1S/C12H16N4O/c1-3-16-12(9-14-15-16)13-8-10-4-6-11(17-2)7-5-10/h4-7,9,13H,3,8H2,1-2H3
InChIKeyMFIXLQULKGHVBP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.92
Rot. Bonds5

About 3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine

3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine (PubChem CID 114222411) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine
PubChem CID114222411
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine
SMILESCCn1nncc1NCc1ccc(OC)cc1
InChIInChI=1S/C12H16N4O/c1-3-16-12(9-14-15-16)13-8-10-4-6-11(17-2)7-5-10/h4-7,9,13H,3,8H2,1-2H3
InChIKeyMFIXLQULKGHVBP-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethyltriazol-4-yl)-2-(4-methoxyphenyl)ethanone
CID 114213055
1-[4-(3-ethyltriazol-4-yl)oxyphenyl]-N-methylmethanamine
CID 114223097
3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7584420
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
N-[(4-methoxyphenyl)methyl]-5-(2-methylsulfanylethoxy)pyrimidin-2-amine
CID 58339649
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
N-[(4-methoxyphenyl)methyl]-1,2,4-triazol-4-amine
CID 961586
5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918380
N-[(4-methoxyphenyl)methyl]-1-prop-2-enyltetrazol-5-amine
CID 4726685
5-chloro-N-[(4-methoxyphenyl)methyl]pyridazin-3-amine
CID 134419132
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine?
The IUPAC name of 3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine (CID 114222411) is 3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine.
What is the SMILES notation for 3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine?
The canonical SMILES for 3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine is CCn1nncc1NCc1ccc(OC)cc1.
What is the InChIKey of 3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine?
The InChIKey is MFIXLQULKGHVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-16-12(9-14-15-16)13-8-10-4-6-11(17-2)7-5-10/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of 3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine?
3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine has a molecular weight of 232.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine is sourced from PubChem (CID 114222411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).