2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole

C10H11N5S — CID 89488423

IUPAC2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
SMILESCc1nc(-c2nnc3n2C(C)CN=C3)cs1
InChIInChI=1S/C10H11N5S/c1-6-3-11-4-9-13-14-10(15(6)9)8-5-16-7(2)12-8/h4-6H,3H2,1-2H3
InChIKeyVRBFCZXNGOEFMQ-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.70
Rot. Bonds1

About 2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole

2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole (PubChem CID 89488423) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
PubChem CID89488423
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole
SMILESCc1nc(-c2nnc3n2C(C)CN=C3)cs1
InChIInChI=1S/C10H11N5S/c1-6-3-11-4-9-13-14-10(15(6)9)8-5-16-7(2)12-8/h4-6H,3H2,1-2H3
InChIKeyVRBFCZXNGOEFMQ-UHFFFAOYSA-N
XLogP1.70
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole (CID 89488423) is 2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole is Cc1nc(-c2nnc3n2C(C)CN=C3)cs1.
What is the InChIKey of 2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
The InChIKey is VRBFCZXNGOEFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-6-3-11-4-9-13-14-10(15(6)9)8-5-16-7(2)12-8/h4-6H,3H2,1-2H3.
What are the key properties of 2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole?
2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole has a molecular weight of 233.30 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1,3-thiazole is sourced from PubChem (CID 89488423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).