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

C14H16N4O — CID 138056287

IUPAC2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-c2cccc3c2CCCC3)nn1
InChIInChI=1S/C14H16N4O/c15-14(19)9-18-8-13(16-17-18)12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H2,15,19)
InChIKeyZAKZZACIFJWOKR-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.31
Rot. Bonds3

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

2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide (PubChem CID 138056287) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide
PubChem CID138056287
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-c2cccc3c2CCCC3)nn1
InChIInChI=1S/C14H16N4O/c15-14(19)9-18-8-13(16-17-18)12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H2,15,19)
InChIKeyZAKZZACIFJWOKR-UHFFFAOYSA-N
XLogP1.31
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-4-yl]phenyl]acetamide
CID 167952437
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-[4-[(2,3-dihydro-1H-indene-4-carbonylamino)methyl]triazol-1-yl]acetic acid
CID 120697970
4-(2,3-dihydro-1H-inden-4-yl)-1-ethylpyrazole-3-carboxylic acid
CID 167748784
2-fluoro-6-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine
CID 140732685
2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide
CID 67610291
2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
CID 70407654
1-(1,3-dihydroisoindol-2-yl)-2-[4-(4,6-dimethylpyrimidin-2-yl)triazol-1-yl]ethanone
CID 167805277
2-bromo-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 104512952
N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 162647842
2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 154866576

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide?
The IUPAC name of 2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide (CID 138056287) is 2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide is NC(=O)Cn1cc(-c2cccc3c2CCCC3)nn1.
What is the InChIKey of 2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide?
The InChIKey is ZAKZZACIFJWOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-14(19)9-18-8-13(16-17-18)12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7-8H,1-2,4,6,9H2,(H2,15,19).
What are the key properties of 2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide?
2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide is sourced from PubChem (CID 138056287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).