5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine

C10H15N7S — CID 169040469

IUPAC5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(CN2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C10H15N7S/c11-9-13-8(14-15-9)7-16-2-4-17(5-3-16)10-12-1-6-18-10/h1,6H,2-5,7H2,(H3,11,13,14,15)
InChIKeyARZDUXMCONPGDB-UHFFFAOYSA-N
MW265.35 g/mol
LogP0.17
Rot. Bonds3

About 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine

5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine (PubChem CID 169040469) has the molecular formula C10H15N7S and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine
PubChem CID169040469
Molecular FormulaC10H15N7S
Molecular Weight265.35 g/mol
Exact Mass265.11
IUPAC Name5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(CN2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C10H15N7S/c11-9-13-8(14-15-9)7-16-2-4-17(5-3-16)10-12-1-6-18-10/h1,6H,2-5,7H2,(H3,11,13,14,15)
InChIKeyARZDUXMCONPGDB-UHFFFAOYSA-N
XLogP0.17
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine (CID 169040469) is 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(CN2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is ARZDUXMCONPGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7S/c11-9-13-8(14-15-9)7-16-2-4-17(5-3-16)10-12-1-6-18-10/h1,6H,2-5,7H2,(H3,11,13,14,15).
What are the key properties of 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine?
5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 265.35 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 169040469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).