2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole

C10H10N6S — CID 167961610

IUPAC2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole
SMILESCn1ccc(-c2cn(Cc3nccs3)nn2)n1
InChIInChI=1S/C10H10N6S/c1-15-4-2-8(13-15)9-6-16(14-12-9)7-10-11-3-5-17-10/h2-6H,7H2,1H3
InChIKeyQDXBBGAVBNYWGB-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.18
Rot. Bonds3

About 2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole

2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole (PubChem CID 167961610) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole
PubChem CID167961610
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole
SMILESCn1ccc(-c2cn(Cc3nccs3)nn2)n1
InChIInChI=1S/C10H10N6S/c1-15-4-2-8(13-15)9-6-16(14-12-9)7-10-11-3-5-17-10/h2-6H,7H2,1H3
InChIKeyQDXBBGAVBNYWGB-UHFFFAOYSA-N
XLogP1.18
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole (CID 167961610) is 2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole is Cn1ccc(-c2cn(Cc3nccs3)nn2)n1.
What is the InChIKey of 2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is QDXBBGAVBNYWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-15-4-2-8(13-15)9-6-16(14-12-9)7-10-11-3-5-17-10/h2-6H,7H2,1H3.
What are the key properties of 2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole?
2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 246.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methylpyrazol-3-yl)triazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 167961610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).