5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide

C16H20N4O — CID 124620606

IUPAC5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20N4O/c1-10(17-16(21)15-11(2)18-20-19-15)13-8-7-12-5-3-4-6-14(12)9-13/h7-10H,3-6H2,1-2H3,(H,17,21)(H,18,19,20)/t10-/m1/s1
InChIKeyISTWJQNICULMCB-SNVBAGLBSA-N
MW284.36 g/mol
LogP2.48
Rot. Bonds3

About 5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide

5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 124620606) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide
PubChem CID124620606
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20N4O/c1-10(17-16(21)15-11(2)18-20-19-15)13-8-7-12-5-3-4-6-14(12)9-13/h7-10H,3-6H2,1-2H3,(H,17,21)(H,18,19,20)/t10-/m1/s1
InChIKeyISTWJQNICULMCB-SNVBAGLBSA-N
XLogP2.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 25371184
3-amino-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazine-2-carboxamide
CID 30013789
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 124620638
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylbenzamide
CID 133191255
1-methyl-6-oxo-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 31442892
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 94487783
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 133185989
(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide (CID 124620606) is 5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is ISTWJQNICULMCB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(17-16(21)15-11(2)18-20-19-15)13-8-7-12-5-3-4-6-14(12)9-13/h7-10H,3-6H2,1-2H3,(H,17,21)(H,18,19,20)/t10-/m1/s1.
What are the key properties of 5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide?
5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 124620606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).