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

C12H16N4O — CID 84695827

IUPAC3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
SMILESCOc1ccccc1-n1cc(CCCN)nn1
InChIInChI=1S/C12H16N4O/c1-17-12-7-3-2-6-11(12)16-9-10(14-15-16)5-4-8-13/h2-3,6-7,9H,4-5,8,13H2,1H3
InChIKeyBAENCRXNDYMHHT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.17
Rot. Bonds5

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

3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine (PubChem CID 84695827) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
PubChem CID84695827
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine
SMILESCOc1ccccc1-n1cc(CCCN)nn1
InChIInChI=1S/C12H16N4O/c1-17-12-7-3-2-6-11(12)16-9-10(14-15-16)5-4-8-13/h2-3,6-7,9H,4-5,8,13H2,1H3
InChIKeyBAENCRXNDYMHHT-UHFFFAOYSA-N
XLogP1.17
TPSA65.96 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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(difluoromethoxy)phenyl]triazol-4-yl]ethanamine
CID 116641561
3-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 114159959
3-[1-(2-methoxyphenyl)triazol-4-yl]-2-methylpropanoic acid
CID 117167556
2-[1-(2-methoxyphenyl)imidazol-4-yl]ethanamine
CID 82471834
3-[1-(2-methyl-3-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106220510
2-(1-naphthalen-1-yltriazol-4-yl)ethanamine
CID 116641542
[1-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine;hydrochloride
CID 139023294
3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine
CID 106220432
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole
CID 162656317
1-(2-methoxyphenyl)-4-[4-(1-naphthalen-2-yltriazol-4-yl)butyl]piperazine
CID 122180568
2-[1-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83821894
3-[1-(2-methoxyphenyl)pyrrol-2-yl]propan-1-amine
CID 170879075

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine (CID 84695827) is 3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine is COc1ccccc1-n1cc(CCCN)nn1.
What is the InChIKey of 3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine?
The InChIKey is BAENCRXNDYMHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-12-7-3-2-6-11(12)16-9-10(14-15-16)5-4-8-13/h2-3,6-7,9H,4-5,8,13H2,1H3.
What are the key properties of 3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine?
3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyphenyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 84695827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).