1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol

C9H17N5O — CID 70385382

IUPAC1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol
SMILESCc1nc(N2CCNCC2)n(C(C)O)n1
InChIInChI=1S/C9H17N5O/c1-7-11-9(14(12-7)8(2)15)13-5-3-10-4-6-13/h8,10,15H,3-6H2,1-2H3
InChIKeyDPPWETVVTCOVTD-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.49
Rot. Bonds2

About 1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol

1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol (PubChem CID 70385382) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol
PubChem CID70385382
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol
SMILESCc1nc(N2CCNCC2)n(C(C)O)n1
InChIInChI=1S/C9H17N5O/c1-7-11-9(14(12-7)8(2)15)13-5-3-10-4-6-13/h8,10,15H,3-6H2,1-2H3
InChIKeyDPPWETVVTCOVTD-UHFFFAOYSA-N
XLogP-0.49
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol (CID 70385382) is 1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol is Cc1nc(N2CCNCC2)n(C(C)O)n1.
What is the InChIKey of 1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol?
The InChIKey is DPPWETVVTCOVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7-11-9(14(12-7)8(2)15)13-5-3-10-4-6-13/h8,10,15H,3-6H2,1-2H3.
What are the key properties of 1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol?
1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol has a molecular weight of 211.27 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-piperazin-1-yl-1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 70385382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).