1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine

C10H19N5 — CID 82507932

IUPAC1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine
SMILESCC(C)c1n[nH]nc1CN1CCNCC1
InChIInChI=1S/C10H19N5/c1-8(2)10-9(12-14-13-10)7-15-5-3-11-4-6-15/h8,11H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyXRLVSEWOFRYZNN-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.33
Rot. Bonds3

About 1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine

1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine (PubChem CID 82507932) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine
PubChem CID82507932
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine
SMILESCC(C)c1n[nH]nc1CN1CCNCC1
InChIInChI=1S/C10H19N5/c1-8(2)10-9(12-14-13-10)7-15-5-3-11-4-6-15/h8,11H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyXRLVSEWOFRYZNN-UHFFFAOYSA-N
XLogP0.33
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine (CID 82507932) is 1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine is CC(C)c1n[nH]nc1CN1CCNCC1.
What is the InChIKey of 1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine?
The InChIKey is XRLVSEWOFRYZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-8(2)10-9(12-14-13-10)7-15-5-3-11-4-6-15/h8,11H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine?
1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine has a molecular weight of 209.30 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propan-2-yl-2H-triazol-4-yl)methyl]piperazine is sourced from PubChem (CID 82507932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).