N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine

C11H16N4OS — CID 104604770

IUPACN-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CSc2ncnn2C)o1
InChIInChI=1S/C11H16N4OS/c1-3-12-6-9-4-5-10(16-9)7-17-11-13-8-14-15(11)2/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyIIYQLAHWHKUBIW-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.81
Rot. Bonds6

About N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine

N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine (PubChem CID 104604770) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine
PubChem CID104604770
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CSc2ncnn2C)o1
InChIInChI=1S/C11H16N4OS/c1-3-12-6-9-4-5-10(16-9)7-17-11-13-8-14-15(11)2/h4-5,8,12H,3,6-7H2,1-2H3
InChIKeyIIYQLAHWHKUBIW-UHFFFAOYSA-N
XLogP1.81
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 650676
N-Furan-2-ylmethyl-2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 655043
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 3212952
Butanamide, N-(2-furanylmethyl)-4-((1-methyl-1H-tetrazol-5-yl)thio)-
CID 3062254
N-Furan-2-ylmethyl-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 654333
N5-[2-[[[5-(Dimethylamino)methyl-2-furanyl]methyl]thio]ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 70570522
2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
CID 977112
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 53570621
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8207714
N-[(5-methylfuran-2-yl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 71936466
5-[(methylthio)methyl]-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]-2-furamide
CID 91789168
(2S)-N-(furan-2-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95191058

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine (CID 104604770) is N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine is CCNCc1ccc(CSc2ncnn2C)o1.
What is the InChIKey of N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine?
The InChIKey is IIYQLAHWHKUBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-12-6-9-4-5-10(16-9)7-17-11-13-8-14-15(11)2/h4-5,8,12H,3,6-7H2,1-2H3.
What are the key properties of N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine?
N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine has a molecular weight of 252.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 104604770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).