3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C14H15N5S — CID 56869815

IUPAC3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1ccsc1-c1nccn1Cc1nnc2n1CCC2
InChIInChI=1S/C14H15N5S/c1-10-4-8-20-13(10)14-15-5-7-18(14)9-12-17-16-11-3-2-6-19(11)12/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyGDFDXGNFPDLXSK-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.51
Rot. Bonds3

About 3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 56869815) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID56869815
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1ccsc1-c1nccn1Cc1nnc2n1CCC2
InChIInChI=1S/C14H15N5S/c1-10-4-8-20-13(10)14-15-5-7-18(14)9-12-17-16-11-3-2-6-19(11)12/h4-5,7-8H,2-3,6,9H2,1H3
InChIKeyGDFDXGNFPDLXSK-UHFFFAOYSA-N
XLogP2.51
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 56869815) is 3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Cc1ccsc1-c1nccn1Cc1nnc2n1CCC2.
What is the InChIKey of 3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is GDFDXGNFPDLXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-10-4-8-20-13(10)14-15-5-7-18(14)9-12-17-16-11-3-2-6-19(11)12/h4-5,7-8H,2-3,6,9H2,1H3.
What are the key properties of 3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 285.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 56869815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).