4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole

C15H15N5S — CID 62587890

IUPAC4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
SMILESCc1ncsc1-c1nnc2n1CCNC2c1ccccc1
InChIInChI=1S/C15H15N5S/c1-10-13(21-9-17-10)15-19-18-14-12(16-7-8-20(14)15)11-5-3-2-4-6-11/h2-6,9,12,16H,7-8H2,1H3
InChIKeyBVZAUMBBTQSKMY-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.40
Rot. Bonds2

About 4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole

4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole (PubChem CID 62587890) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
PubChem CID62587890
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
SMILESCc1ncsc1-c1nnc2n1CCNC2c1ccccc1
InChIInChI=1S/C15H15N5S/c1-10-13(21-9-17-10)15-19-18-14-12(16-7-8-20(14)15)11-5-3-2-4-6-11/h2-6,9,12,16H,7-8H2,1H3
InChIKeyBVZAUMBBTQSKMY-UHFFFAOYSA-N
XLogP2.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole (CID 62587890) is 4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole is Cc1ncsc1-c1nnc2n1CCNC2c1ccccc1.
What is the InChIKey of 4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The InChIKey is BVZAUMBBTQSKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-10-13(21-9-17-10)15-19-18-14-12(16-7-8-20(14)15)11-5-3-2-4-6-11/h2-6,9,12,16H,7-8H2,1H3.
What are the key properties of 4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole has a molecular weight of 297.39 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole is sourced from PubChem (CID 62587890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).