2H-benzotriazole;1-pentylpiperazine

C15H25N5 — CID 174694727

IUPAC2H-benzotriazole;1-pentylpiperazine
SMILESCCCCCN1CCNCC1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C9H20N2.C6H5N3/c1-2-3-4-7-11-8-5-10-6-9-11;1-2-4-6-5(3-1)7-9-8-6/h10H,2-9H2,1H3;1-4H,(H,7,8,9)
InChIKeyINXBWPJHJGLLHM-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.04
Rot. Bonds4

About 2H-benzotriazole;1-pentylpiperazine

2H-benzotriazole;1-pentylpiperazine (PubChem CID 174694727) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2H-benzotriazole;1-pentylpiperazine.

Molecular Properties

Compound Name2H-benzotriazole;1-pentylpiperazine
PubChem CID174694727
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2H-benzotriazole;1-pentylpiperazine
SMILESCCCCCN1CCNCC1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C9H20N2.C6H5N3/c1-2-3-4-7-11-8-5-10-6-9-11;1-2-4-6-5(3-1)7-9-8-6/h10H,2-9H2,1H3;1-4H,(H,7,8,9)
InChIKeyINXBWPJHJGLLHM-UHFFFAOYSA-N
XLogP2.04
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;1-pentylpiperazine?
The IUPAC name of 2H-benzotriazole;1-pentylpiperazine (CID 174694727) is 2H-benzotriazole;1-pentylpiperazine.
What is the SMILES notation for 2H-benzotriazole;1-pentylpiperazine?
The canonical SMILES for 2H-benzotriazole;1-pentylpiperazine is CCCCCN1CCNCC1.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;1-pentylpiperazine?
The InChIKey is INXBWPJHJGLLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C6H5N3/c1-2-3-4-7-11-8-5-10-6-9-11;1-2-4-6-5(3-1)7-9-8-6/h10H,2-9H2,1H3;1-4H,(H,7,8,9).
What are the key properties of 2H-benzotriazole;1-pentylpiperazine?
2H-benzotriazole;1-pentylpiperazine has a molecular weight of 275.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;1-pentylpiperazine is sourced from PubChem (CID 174694727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).