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

C10H9N5S — CID 107972890

IUPAC3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole
SMILESCn1cnc(-c2n[nH]c(-c3cccs3)n2)c1
InChIInChI=1S/C10H9N5S/c1-15-5-7(11-6-15)9-12-10(14-13-9)8-3-2-4-16-8/h2-6H,1H3,(H,12,13,14)
InChIKeyMZPWQIFVJOFFAN-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.93
Rot. Bonds2

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

3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 107972890) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID107972890
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole
SMILESCn1cnc(-c2n[nH]c(-c3cccs3)n2)c1
InChIInChI=1S/C10H9N5S/c1-15-5-7(11-6-15)9-12-10(14-13-9)8-3-2-4-16-8/h2-6H,1H3,(H,12,13,14)
InChIKeyMZPWQIFVJOFFAN-UHFFFAOYSA-N
XLogP1.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyrazine
CID 62735073
3-(3,4-dimethylphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 62732820
5-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1H-1,2,4-triazol-3-amine
CID 62794401
3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
CID 62733396
3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole
CID 80745099
4-methyl-3-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 63654751
3-(2,5-dichlorophenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 63548676
3-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 62733954
1-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)isoquinoline
CID 62733394
3-[3-(3-bromophenyl)phenyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 118577126
3-ethyl-6-methyl-4-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)pyridazine
CID 104670903
3-(3-bromo-4-methoxyphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 62732639

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole (CID 107972890) is 3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole is Cn1cnc(-c2n[nH]c(-c3cccs3)n2)c1.
What is the InChIKey of 3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is MZPWQIFVJOFFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-15-5-7(11-6-15)9-12-10(14-13-9)8-3-2-4-16-8/h2-6H,1H3,(H,12,13,14).
What are the key properties of 3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole?
3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 231.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-4-yl)-5-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 107972890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).