(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine

C16H20N4O — CID 94026757

IUPAC(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
SMILESCc1nnc(CN(C)[C@H](C)c2cc3ccccc3o2)n1C
InChIInChI=1S/C16H20N4O/c1-11(15-9-13-7-5-6-8-14(13)21-15)19(3)10-16-18-17-12(2)20(16)4/h5-9,11H,10H2,1-4H3/t11-/m1/s1
InChIKeyWTFGCWJOPPDGDN-LLVKDONJSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds4

About (1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine

(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine (PubChem CID 94026757) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
PubChem CID94026757
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
SMILESCc1nnc(CN(C)[C@H](C)c2cc3ccccc3o2)n1C
InChIInChI=1S/C16H20N4O/c1-11(15-9-13-7-5-6-8-14(13)21-15)19(3)10-16-18-17-12(2)20(16)4/h5-9,11H,10H2,1-4H3/t11-/m1/s1
InChIKeyWTFGCWJOPPDGDN-LLVKDONJSA-N
XLogP3.06
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine with MolForge

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 42946170
2-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 95295827
4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile
CID 39976766
1-[1-(1-benzofuran-2-yl)ethyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethylguanidine;hydroiodide
CID 111378245
N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133350806
6-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1H-pyrimidine-2,4-dione
CID 94020630
(1S)-1-(1-benzofuran-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 51873250
1-[1-(1-benzofuran-2-yl)ethyl]-3-cyclopropyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 119133301
1-(1-benzofuran-2-ylmethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 111694819
ethyl 4-[[[(1S)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]-1,3-thiazole-2-carboxylate
CID 51964388
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46550846
4-[[1-(1-benzofuran-2-yl)ethyl-methylamino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 46551841

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine?
The IUPAC name of (1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine (CID 94026757) is (1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine.
What is the SMILES notation for (1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine?
The canonical SMILES for (1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine is Cc1nnc(CN(C)[C@H](C)c2cc3ccccc3o2)n1C.
What is the InChIKey of (1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine?
The InChIKey is WTFGCWJOPPDGDN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(15-9-13-7-5-6-8-14(13)21-15)19(3)10-16-18-17-12(2)20(16)4/h5-9,11H,10H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine?
(1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine has a molecular weight of 284.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 94026757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).