3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine

C14H14N4O2S — CID 10149561

IUPAC3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
SMILESCOc1ccc(Nc2nc(SCc3ccco3)n[nH]2)cc1
InChIInChI=1S/C14H14N4O2S/c1-19-11-6-4-10(5-7-11)15-13-16-14(18-17-13)21-9-12-3-2-8-20-12/h2-8H,9H2,1H3,(H2,15,16,17,18)
InChIKeyZMPXGAVYBXBCDV-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.44
Rot. Bonds6

About 3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine

3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine (PubChem CID 10149561) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
PubChem CID10149561
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
SMILESCOc1ccc(Nc2nc(SCc3ccco3)n[nH]2)cc1
InChIInChI=1S/C14H14N4O2S/c1-19-11-6-4-10(5-7-11)15-13-16-14(18-17-13)21-9-12-3-2-8-20-12/h2-8H,9H2,1H3,(H2,15,16,17,18)
InChIKeyZMPXGAVYBXBCDV-UHFFFAOYSA-N
XLogP3.44
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 10286474
5-butyl-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 70384231
N-(4-chlorophenyl)-3-(thiophen-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 10308613
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
methyl 4-[[3-[(2-methoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]amino]benzoate
CID 16755850
N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
CID 71444012
5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine
CID 106999439
3-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)-1H-1,2,4-triazol-5-amine
CID 16757342
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90894993
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
CID 5019580
6-N-(furan-2-ylmethyl)-4-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871420
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methoxyaniline
CID 39734358

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of 3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine (CID 10149561) is 3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for 3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for 3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine is COc1ccc(Nc2nc(SCc3ccco3)n[nH]2)cc1.
What is the InChIKey of 3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is ZMPXGAVYBXBCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-19-11-6-4-10(5-7-11)15-13-16-14(18-17-13)21-9-12-3-2-8-20-12/h2-8H,9H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine?
3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 302.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfanyl)-N-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 10149561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).