[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine

C16H18N4 — CID 82203818

IUPAC[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1Cc1cccc2ccccc12
InChIInChI=1S/C16H18N4/c1-2-16-15(10-17)18-19-20(16)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10-11,17H2,1H3
InChIKeyYWQKHEMEZCWMSL-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.50
Rot. Bonds4

About [5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine

[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine (PubChem CID 82203818) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is [5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine
PubChem CID82203818
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine
SMILESCCc1c(CN)nnn1Cc1cccc2ccccc12
InChIInChI=1S/C16H18N4/c1-2-16-15(10-17)18-19-20(16)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10-11,17H2,1H3
InChIKeyYWQKHEMEZCWMSL-UHFFFAOYSA-N
XLogP2.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-butyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanol
CID 82203789
[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
CID 82203709
[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
CID 82208944
(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130
[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol
CID 94943470
5-(methoxymethyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxylic acid
CID 82202427
[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine
CID 94943128
5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine
CID 79542133
1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
CID 79542823
(5-benzyl-1-ethyltriazol-4-yl)methanamine
CID 82207476
2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine
CID 82203830
2-(naphthalen-1-ylmethyl)pyrazol-3-amine
CID 12597365

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine?
The IUPAC name of [5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine (CID 82203818) is [5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine?
The canonical SMILES for [5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine is CCc1c(CN)nnn1Cc1cccc2ccccc12.
What is the InChIKey of [5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine?
The InChIKey is YWQKHEMEZCWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-16-15(10-17)18-19-20(16)11-13-8-5-7-12-6-3-4-9-14(12)13/h3-9H,2,10-11,17H2,1H3.
What are the key properties of [5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine?
[5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(naphthalen-1-ylmethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82203818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).