1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine

C12H16N4O — CID 117167721

IUPAC1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C12H16N4O/c1-9(13-2)12-8-16(15-14-12)10-4-6-11(17-3)7-5-10/h4-9,13H,1-3H3
InChIKeyWGKBWEQHNFDHLQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.56
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine

1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine (PubChem CID 117167721) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine
PubChem CID117167721
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C12H16N4O/c1-9(13-2)12-8-16(15-14-12)10-4-6-11(17-3)7-5-10/h4-9,13H,1-3H3
InChIKeyWGKBWEQHNFDHLQ-UHFFFAOYSA-N
XLogP1.56
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-(4-methoxyphenyl)-4-methyltriazole
CID 143999618
N-methyl-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
CID 117167604
1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167487
1-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 10513054
4-(4-methoxyphenyl)-1-(4-methylphenyl)triazole
CID 141476610
4-(1-chloroethyl)-1-(4-ethoxyphenyl)triazole
CID 81444878
4-(1-bromopropyl)-1-(4-propan-2-yloxyphenyl)triazole
CID 113482816
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66204621
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133490929
2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine
CID 66204828
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 138025561

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine (CID 117167721) is 1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine is CNC(C)c1cn(-c2ccc(OC)cc2)nn1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine?
The InChIKey is WGKBWEQHNFDHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(13-2)12-8-16(15-14-12)10-4-6-11(17-3)7-5-10/h4-9,13H,1-3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine?
1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine has a molecular weight of 232.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)triazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 117167721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).