[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

C14H18N4OS — CID 66364557

IUPAC[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCC1Cc2ccccc2O1
InChIInChI=1S/C14H18N4OS/c1-2-18-13(8-15)16-17-14(18)20-9-11-7-10-5-3-4-6-12(10)19-11/h3-6,11H,2,7-9,15H2,1H3
InChIKeySXOPAFPKQSYQPD-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.85
Rot. Bonds5

About [5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine

[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 66364557) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
PubChem CID66364557
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
SMILESCCn1c(CN)nnc1SCC1Cc2ccccc2O1
InChIInChI=1S/C14H18N4OS/c1-2-18-13(8-15)16-17-14(18)20-9-11-7-10-5-3-4-6-12(10)19-11/h3-6,11H,2,7-9,15H2,1H3
InChIKeySXOPAFPKQSYQPD-UHFFFAOYSA-N
XLogP1.85
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

[4-ethyl-5-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 66361188
5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-propan-2-yl-1,2,4-triazol-3-amine
CID 66364362
[5-(cyclopentylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313730
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)phenyl]ethanol
CID 66365412
2-[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)tetrazol-1-yl]acetic acid
CID 66348185
4-[5-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]morpholine
CID 9378611
2-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopenten-1-yl)-N-methylacetamide
CID 63314121
[4-ethyl-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313986
[4-ethyl-5-(1,2-oxazol-5-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313232
[4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63314037
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylmethanamine
CID 91843062
[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methanamine
CID 63313774

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine (CID 66364557) is [5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is CCn1c(CN)nnc1SCC1Cc2ccccc2O1.
What is the InChIKey of [5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is SXOPAFPKQSYQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-18-13(8-15)16-17-14(18)20-9-11-7-10-5-3-4-6-12(10)19-11/h3-6,11H,2,7-9,15H2,1H3.
What are the key properties of [5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine?
[5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 290.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydro-1-benzofuran-2-ylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 66364557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).