5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine

C17H14N4OS — CID 170148037

IUPAC5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1cccc(OCc2cccc3ccsc23)c1
InChIInChI=1S/C17H14N4OS/c18-17-15(19-21-20-17)12-4-2-6-14(9-12)22-10-13-5-1-3-11-7-8-23-16(11)13/h1-9H,10H2,(H3,18,19,20,21)
InChIKeyAYKPGVWPUQGKOW-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.85
Rot. Bonds4

About 5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine

5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine (PubChem CID 170148037) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine.

Molecular Properties

Compound Name5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine
PubChem CID170148037
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1cccc(OCc2cccc3ccsc23)c1
InChIInChI=1S/C17H14N4OS/c18-17-15(19-21-20-17)12-4-2-6-14(9-12)22-10-13-5-1-3-11-7-8-23-16(11)13/h1-9H,10H2,(H3,18,19,20,21)
InChIKeyAYKPGVWPUQGKOW-UHFFFAOYSA-N
XLogP3.85
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-[(1-methylindol-7-yl)methoxy]phenyl]-2H-triazol-4-amine
CID 170148010
5-[3-(1,3-thiazol-4-ylmethoxy)phenyl]-2H-triazol-4-amine
CID 170148065
5-[3-(1,3-oxazol-5-ylmethoxy)phenyl]-2H-triazol-4-amine
CID 170148069
5-[3-[(1-methyl-5-phenylpyrazol-3-yl)methoxy]phenyl]-2H-triazol-4-amine
CID 170147966
5-[3-[(4-methylcyclohexyl)methoxy]phenyl]-2H-triazol-4-amine
CID 170147983
2,4-diamino-6-[3-(naphthalen-1-ylmethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169397529
5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479662
5-[3-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoxy]phenyl]-2H-triazol-4-amine
CID 170147911
5-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479656
[2-(3-phenylmethoxyphenyl)-3-pyridinyl]methanamine
CID 22663707
7-(bromomethyl)-1-benzothiophene
CID 10751761
5-[3-[(5-methyl-2-phenylfuran-3-yl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479671

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine?
The IUPAC name of 5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine (CID 170148037) is 5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine.
What is the SMILES notation for 5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine?
The canonical SMILES for 5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine is Nc1n[nH]nc1-c1cccc(OCc2cccc3ccsc23)c1.
What is the InChIKey of 5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine?
The InChIKey is AYKPGVWPUQGKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c18-17-15(19-21-20-17)12-4-2-6-14(9-12)22-10-13-5-1-3-11-7-8-23-16(11)13/h1-9H,10H2,(H3,18,19,20,21).
What are the key properties of 5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine?
5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine has a molecular weight of 322.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-benzothiophen-7-ylmethoxy)phenyl]-2H-triazol-4-amine is sourced from PubChem (CID 170148037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).