1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol

C10H19N5OS — CID 104603692

IUPAC1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol
SMILESCn1ncnc1SCC(O)CN1CCNCC1
InChIInChI=1S/C10H19N5OS/c1-14-10(12-8-13-14)17-7-9(16)6-15-4-2-11-3-5-15/h8-9,11,16H,2-7H2,1H3
InChIKeyMSIPRYHDNBTIMC-UHFFFAOYSA-N
MW257.36 g/mol
LogP-0.83
Rot. Bonds5

About 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol

1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol (PubChem CID 104603692) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol
PubChem CID104603692
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol
SMILESCn1ncnc1SCC(O)CN1CCNCC1
InChIInChI=1S/C10H19N5OS/c1-14-10(12-8-13-14)17-7-9(16)6-15-4-2-11-3-5-15/h8-9,11,16H,2-7H2,1H3
InChIKeyMSIPRYHDNBTIMC-UHFFFAOYSA-N
XLogP-0.83
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol (CID 104603692) is 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol is Cn1ncnc1SCC(O)CN1CCNCC1.
What is the InChIKey of 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is MSIPRYHDNBTIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-14-10(12-8-13-14)17-7-9(16)6-15-4-2-11-3-5-15/h8-9,11,16H,2-7H2,1H3.
What are the key properties of 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol?
1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 257.36 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 104603692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).