2H-benzotriazole;pyrrolidine

C10H14N4 — CID 154804847

IUPAC2H-benzotriazole;pyrrolidine
SMILESC1CCNC1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.C4H9N/c1-2-4-6-5(3-1)7-9-8-6;1-2-4-5-3-1/h1-4H,(H,7,8,9);5H,1-4H2
InChIKeyZUEBMAWLIFBITF-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.33
Rot. Bonds

About 2H-benzotriazole;pyrrolidine

2H-benzotriazole;pyrrolidine (PubChem CID 154804847) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2H-benzotriazole;pyrrolidine.

Molecular Properties

Compound Name2H-benzotriazole;pyrrolidine
PubChem CID154804847
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2H-benzotriazole;pyrrolidine
SMILESC1CCNC1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C6H5N3.C4H9N/c1-2-4-6-5(3-1)7-9-8-6;1-2-4-5-3-1/h1-4H,(H,7,8,9);5H,1-4H2
InChIKeyZUEBMAWLIFBITF-UHFFFAOYSA-N
XLogP1.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;pyrrolidine?
The IUPAC name of 2H-benzotriazole;pyrrolidine (CID 154804847) is 2H-benzotriazole;pyrrolidine.
What is the SMILES notation for 2H-benzotriazole;pyrrolidine?
The canonical SMILES for 2H-benzotriazole;pyrrolidine is C1CCNC1.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;pyrrolidine?
The InChIKey is ZUEBMAWLIFBITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.C4H9N/c1-2-4-6-5(3-1)7-9-8-6;1-2-4-5-3-1/h1-4H,(H,7,8,9);5H,1-4H2.
What are the key properties of 2H-benzotriazole;pyrrolidine?
2H-benzotriazole;pyrrolidine has a molecular weight of 190.25 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;pyrrolidine is sourced from PubChem (CID 154804847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).