5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

C15H15N5S — CID 133478990

IUPAC5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1cn2c(C3CC3)nnc2c(N2CCc3sccc3C2)n1
InChIInChI=1S/C15H15N5S/c1-2-10(1)13-17-18-15-14(16-5-7-20(13)15)19-6-3-12-11(9-19)4-8-21-12/h4-5,7-8,10H,1-3,6,9H2
InChIKeyISWCWZRZJSHPAP-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.63
Rot. Bonds2

About 5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 133478990) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID133478990
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESc1cn2c(C3CC3)nnc2c(N2CCc3sccc3C2)n1
InChIInChI=1S/C15H15N5S/c1-2-10(1)13-17-18-15-14(16-5-7-20(13)15)19-6-3-12-11(9-19)4-8-21-12/h4-5,7-8,10H,1-3,6,9H2
InChIKeyISWCWZRZJSHPAP-UHFFFAOYSA-N
XLogP2.63
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 133478990) is 5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is c1cn2c(C3CC3)nnc2c(N2CCc3sccc3C2)n1.
What is the InChIKey of 5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is ISWCWZRZJSHPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-2-10(1)13-17-18-15-14(16-5-7-20(13)15)19-6-3-12-11(9-19)4-8-21-12/h4-5,7-8,10H,1-3,6,9H2.
What are the key properties of 5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine?
5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 297.39 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 133478990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).