1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine

C12H23N5 — CID 62722324

IUPAC1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCC(C)c1nc(C(C)N2CCNCC2)n(C)n1
InChIInChI=1S/C12H23N5/c1-9(2)11-14-12(16(4)15-11)10(3)17-7-5-13-6-8-17/h9-10,13H,5-8H2,1-4H3
InChIKeyBBIZGDHMPWVFNX-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.90
Rot. Bonds3

About 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine

1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine (PubChem CID 62722324) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
PubChem CID62722324
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine
SMILESCC(C)c1nc(C(C)N2CCNCC2)n(C)n1
InChIInChI=1S/C12H23N5/c1-9(2)11-14-12(16(4)15-11)10(3)17-7-5-13-6-8-17/h9-10,13H,5-8H2,1-4H3
InChIKeyBBIZGDHMPWVFNX-UHFFFAOYSA-N
XLogP0.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
The IUPAC name of 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine (CID 62722324) is 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine is CC(C)c1nc(C(C)N2CCNCC2)n(C)n1.
What is the InChIKey of 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
The InChIKey is BBIZGDHMPWVFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-9(2)11-14-12(16(4)15-11)10(3)17-7-5-13-6-8-17/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine?
1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine has a molecular weight of 237.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine is sourced from PubChem (CID 62722324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).