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

C13H15N7S — CID 102792212

IUPAC4-methyl-5-[8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
SMILESCc1ncsc1-c1nnc2n1CCNC2c1cnn(C)c1
InChIInChI=1S/C13H15N7S/c1-8-11(21-7-15-8)13-18-17-12-10(14-3-4-20(12)13)9-5-16-19(2)6-9/h5-7,10,14H,3-4H2,1-2H3
InChIKeyUPWNIYCUPYLRBH-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.14
Rot. Bonds2

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

4-methyl-5-[8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole (PubChem CID 102792212) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-methyl-5-[8-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
PubChem CID102792212
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name4-methyl-5-[8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
SMILESCc1ncsc1-c1nnc2n1CCNC2c1cnn(C)c1
InChIInChI=1S/C13H15N7S/c1-8-11(21-7-15-8)13-18-17-12-10(14-3-4-20(12)13)9-5-16-19(2)6-9/h5-7,10,14H,3-4H2,1-2H3
InChIKeyUPWNIYCUPYLRBH-UHFFFAOYSA-N
XLogP1.14
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[8-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole (CID 102792212) is 4-methyl-5-[8-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-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-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole is Cc1ncsc1-c1nnc2n1CCNC2c1cnn(C)c1.
What is the InChIKey of 4-methyl-5-[8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole?
The InChIKey is UPWNIYCUPYLRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-8-11(21-7-15-8)13-18-17-12-10(14-3-4-20(12)13)9-5-16-19(2)6-9/h5-7,10,14H,3-4H2,1-2H3.
What are the key properties of 4-methyl-5-[8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole?
4-methyl-5-[8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole has a molecular weight of 301.38 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[8-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole is sourced from PubChem (CID 102792212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).