N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C16H20N4O — CID 127842980

IUPACN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1nc(NC(=O)CC2CCc3ccccc3C2)n(C)n1
InChIInChI=1S/C16H20N4O/c1-11-17-16(20(2)19-11)18-15(21)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-6,12H,7-10H2,1-2H3,(H,17,18,19,21)
InChIKeyOMZOTQMPJMVUNV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.26
Rot. Bonds3

About N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 127842980) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID127842980
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESCc1nc(NC(=O)CC2CCc3ccccc3C2)n(C)n1
InChIInChI=1S/C16H20N4O/c1-11-17-16(20(2)19-11)18-15(21)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-6,12H,7-10H2,1-2H3,(H,17,18,19,21)
InChIKeyOMZOTQMPJMVUNV-UHFFFAOYSA-N
XLogP2.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]butanamide
CID 90667234
3,3-diphenyl-N-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]propanamide
CID 90667235
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-(2-methylphenyl)-3-phenylpropanamide
CID 72880499
4-[3-isopropyl-1-(2-methylbenzyl)-1H-1,2,4-triazol-5-yl]butanamide
CID 72869451
(3S)-3-(2-methylphenyl)-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]butanamide
CID 96522386
2-{1-butyl-5-[2-(2,4-dimethylphenyl)ethyl]-1H-1,2,4-triazol-3-yl}acetamide
CID 131912864
2-benzyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 132382237
N-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
CID 164632822
3-(4-fluorophenyl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)propanamide
CID 60285164
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 72837955
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 72916152
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(2-fluorophenyl)acetamide
CID 86789662

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 127842980) is N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is Cc1nc(NC(=O)CC2CCc3ccccc3C2)n(C)n1.
What is the InChIKey of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is OMZOTQMPJMVUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-17-16(20(2)19-11)18-15(21)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-6,12H,7-10H2,1-2H3,(H,17,18,19,21).
What are the key properties of N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 127842980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).