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

C10H10N6S — CID 91972729

IUPAC4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole
SMILESCn1cc(-c2cn(Cc3cscn3)nn2)cn1
InChIInChI=1S/C10H10N6S/c1-15-3-8(2-12-15)10-5-16(14-13-10)4-9-6-17-7-11-9/h2-3,5-7H,4H2,1H3
InChIKeyDARWDMOESKIXNK-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.18
Rot. Bonds3

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

4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole (PubChem CID 91972729) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole
PubChem CID91972729
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole
SMILESCn1cc(-c2cn(Cc3cscn3)nn2)cn1
InChIInChI=1S/C10H10N6S/c1-15-3-8(2-12-15)10-5-16(14-13-10)4-9-6-17-7-11-9/h2-3,5-7H,4H2,1H3
InChIKeyDARWDMOESKIXNK-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 4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole (CID 91972729) is 4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole is Cn1cc(-c2cn(Cc3cscn3)nn2)cn1.
What is the InChIKey of 4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is DARWDMOESKIXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-15-3-8(2-12-15)10-5-16(14-13-10)4-9-6-17-7-11-9/h2-3,5-7H,4H2,1H3.
What are the key properties of 4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole?
4-[[4-(1-methylpyrazol-4-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 4-[[4-(1-methylpyrazol-4-yl)triazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 91972729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).