2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide

C20H20N4O — CID 167952437

IUPAC2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1-c1cn(-c2cccc3c2CCCC3)nn1
InChIInChI=1S/C20H20N4O/c21-20(25)12-15-7-2-3-9-16(15)18-13-24(23-22-18)19-11-5-8-14-6-1-4-10-17(14)19/h2-3,5,7-9,11,13H,1,4,6,10,12H2,(H2,21,25)
InChIKeyHGYYCLVSIVIZLA-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.84
Rot. Bonds4

About 2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide

2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide (PubChem CID 167952437) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide
PubChem CID167952437
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1-c1cn(-c2cccc3c2CCCC3)nn1
InChIInChI=1S/C20H20N4O/c21-20(25)12-15-7-2-3-9-16(15)18-13-24(23-22-18)19-11-5-8-14-6-1-4-10-17(14)19/h2-3,5,7-9,11,13H,1,4,6,10,12H2,(H2,21,25)
InChIKeyHGYYCLVSIVIZLA-UHFFFAOYSA-N
XLogP2.84
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide
CID 138056287
4-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-3-carboxylic acid
CID 43318002
2-(9H-fluoren-1-yl)acetamide
CID 22939017
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazol-3-amine
CID 102942316
2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]acetic acid
CID 43671486
2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol
CID 175178239
2-(9H-fluoren-4-yl)acetamide
CID 23620144
2-bromo-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 104512952
1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-amine
CID 79506698
phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene
CID 23110735
3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine
CID 146453462
2-(2,3-dihydro-1H-inden-4-yl)acetic acid
CID 15212214

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide (CID 167952437) is 2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide is NC(=O)Cc1ccccc1-c1cn(-c2cccc3c2CCCC3)nn1.
What is the InChIKey of 2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide?
The InChIKey is HGYYCLVSIVIZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-20(25)12-15-7-2-3-9-16(15)18-13-24(23-22-18)19-11-5-8-14-6-1-4-10-17(14)19/h2-3,5,7-9,11,13H,1,4,6,10,12H2,(H2,21,25).
What are the key properties of 2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide?
2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 167952437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).