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

C9H17N5 — CID 82505483

IUPAC1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine
SMILESCCc1n[nH]nc1CN1CCNCC1
InChIInChI=1S/C9H17N5/c1-2-8-9(12-13-11-8)7-14-5-3-10-4-6-14/h10H,2-7H2,1H3,(H,11,12,13)
InChIKeyBQWFKZGGMTXNFY-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.23
Rot. Bonds3

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

1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine (PubChem CID 82505483) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine
PubChem CID82505483
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine
SMILESCCc1n[nH]nc1CN1CCNCC1
InChIInChI=1S/C9H17N5/c1-2-8-9(12-13-11-8)7-14-5-3-10-4-6-14/h10H,2-7H2,1H3,(H,11,12,13)
InChIKeyBQWFKZGGMTXNFY-UHFFFAOYSA-N
XLogP-0.23
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine (CID 82505483) is 1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine is CCc1n[nH]nc1CN1CCNCC1.
What is the InChIKey of 1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine?
The InChIKey is BQWFKZGGMTXNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-2-8-9(12-13-11-8)7-14-5-3-10-4-6-14/h10H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine?
1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine has a molecular weight of 195.27 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2H-triazol-4-yl)methyl]piperazine is sourced from PubChem (CID 82505483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).