5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole

C17H13N3S — CID 62732819

IUPAC5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESc1csc(-c2n[nH]c(Cc3cccc4ccccc34)n2)c1
InChIInChI=1S/C17H13N3S/c1-2-8-14-12(5-1)6-3-7-13(14)11-16-18-17(20-19-16)15-9-4-10-21-15/h1-10H,11H2,(H,18,19,20)
InChIKeyRRODWHPIHXSMRO-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.28
Rot. Bonds3

About 5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole

5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 62732819) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID62732819
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESc1csc(-c2n[nH]c(Cc3cccc4ccccc34)n2)c1
InChIInChI=1S/C17H13N3S/c1-2-8-14-12(5-1)6-3-7-13(14)11-16-18-17(20-19-16)15-9-4-10-21-15/h1-10H,11H2,(H,18,19,20)
InChIKeyRRODWHPIHXSMRO-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-bromophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62733022
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
CID 62733596
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 62732644
N-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62734149
5-[(4-methoxyphenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 55090566
5-[(2-chloro-6-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
CID 55111709
4-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methoxy]chromen-2-one
CID 71496184
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
CID 62732833
2-(naphthalen-1-ylmethyl)thiophene
CID 23454862
5-(2-ethoxyethyl)-3-thiophen-2-yl-1H-1,2,4-triazole
CID 62735263
3-thiophen-2-yl-5-(2,4,4-trimethylpentyl)-1H-1,2,4-triazole
CID 55222065
2-methyl-N-[2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 62732462

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole (CID 62732819) is 5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole is c1csc(-c2n[nH]c(Cc3cccc4ccccc34)n2)c1.
What is the InChIKey of 5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is RRODWHPIHXSMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-8-14-12(5-1)6-3-7-13(14)11-16-18-17(20-19-16)15-9-4-10-21-15/h1-10H,11H2,(H,18,19,20).
What are the key properties of 5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole?
5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 291.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethyl)-3-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 62732819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).