2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine

C15H16N4 — CID 82203830

IUPAC2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine
SMILESNCCc1cnnn1Cc1cccc2ccccc12
InChIInChI=1S/C15H16N4/c16-9-8-14-10-17-18-19(14)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,10H,8-9,11,16H2
InChIKeyUFJSVYMWXHLVRA-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.98
Rot. Bonds4

About 2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine

2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine (PubChem CID 82203830) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine
PubChem CID82203830
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine
SMILESNCCc1cnnn1Cc1cccc2ccccc12
InChIInChI=1S/C15H16N4/c16-9-8-14-10-17-18-19(14)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,10H,8-9,11,16H2
InChIKeyUFJSVYMWXHLVRA-UHFFFAOYSA-N
XLogP1.98
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride
CID 90489043
3-(3-benzyltriazol-4-yl)propan-1-amine
CID 84681932
2-(naphthalen-1-ylmethyl)pyrazol-3-amine
CID 12597365
[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine
CID 82203818
2-[5-(naphthalen-1-ylmethyl)tetrazol-1-yl]ethanamine
CID 84758899
8-naphthalen-1-yloctan-1-amine
CID 100987116
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
CID 66760372
CID 66760372
3-(3-benzyltriazol-4-yl)propan-1-ol
CID 178053444
2-naphthalen-1-yl-1-(3-propyltriazol-4-yl)ethanone
CID 105129405
2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine
CID 82209257
3-(3-benzyltriazol-4-yl)propanoic acid
CID 83644743

Frequently Asked Questions

What is the IUPAC name of 2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine (CID 82203830) is 2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine is NCCc1cnnn1Cc1cccc2ccccc12.
What is the InChIKey of 2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine?
The InChIKey is UFJSVYMWXHLVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-9-8-14-10-17-18-19(14)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,10H,8-9,11,16H2.
What are the key properties of 2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine?
2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine has a molecular weight of 252.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 82203830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).