2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C17H19N5O — CID 94477310

IUPAC2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1cnnc1C#N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H19N5O/c1-12(14-7-6-13-4-2-3-5-15(13)8-14)20-17(23)10-22-11-19-21-16(22)9-18/h6-8,11-12H,2-5,10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyFMMQKMRXUKJHOR-LBPRGKRZSA-N
MW309.37 g/mol
LogP1.91
Rot. Bonds4

About 2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 94477310) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID94477310
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1cnnc1C#N)c1ccc2c(c1)CCCC2
InChIInChI=1S/C17H19N5O/c1-12(14-7-6-13-4-2-3-5-15(13)8-14)20-17(23)10-22-11-19-21-16(22)9-18/h6-8,11-12H,2-5,10H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyFMMQKMRXUKJHOR-LBPRGKRZSA-N
XLogP1.91
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 94477311
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9060526
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46821406
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 16619960
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55484019
2-(4-methylpiperidin-1-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8558028
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 8956251
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 8953766
2-(2,6-dimethylmorpholin-4-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 18087176
2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 8943585
2-[5-(2-methylphenyl)tetrazol-2-yl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9451024
2-pyrimidin-2-ylsulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 51110143

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 94477310) is 2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is C[C@H](NC(=O)Cn1cnnc1C#N)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is FMMQKMRXUKJHOR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12(14-7-6-13-4-2-3-5-15(13)8-14)20-17(23)10-22-11-19-21-16(22)9-18/h6-8,11-12H,2-5,10H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-4-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 94477310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).