1-methyl-4-pyrrolidin-1-ylbenzotriazole

C11H14N4 — CID 168513099

IUPAC1-methyl-4-pyrrolidin-1-ylbenzotriazole
SMILESCn1nnc2c(N3CCCC3)cccc21
InChIInChI=1S/C11H14N4/c1-14-9-5-4-6-10(11(9)12-13-14)15-7-2-3-8-15/h4-6H,2-3,7-8H2,1H3
InChIKeyZDVOZSJSKJHEIR-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.57
Rot. Bonds1

About 1-methyl-4-pyrrolidin-1-ylbenzotriazole

1-methyl-4-pyrrolidin-1-ylbenzotriazole (PubChem CID 168513099) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-methyl-4-pyrrolidin-1-ylbenzotriazole.

Molecular Properties

Compound Name1-methyl-4-pyrrolidin-1-ylbenzotriazole
PubChem CID168513099
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-methyl-4-pyrrolidin-1-ylbenzotriazole
SMILESCn1nnc2c(N3CCCC3)cccc21
InChIInChI=1S/C11H14N4/c1-14-9-5-4-6-10(11(9)12-13-14)15-7-2-3-8-15/h4-6H,2-3,7-8H2,1H3
InChIKeyZDVOZSJSKJHEIR-UHFFFAOYSA-N
XLogP1.57
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyrrolidin-1-ylbenzotriazole?
The IUPAC name of 1-methyl-4-pyrrolidin-1-ylbenzotriazole (CID 168513099) is 1-methyl-4-pyrrolidin-1-ylbenzotriazole.
What is the SMILES notation for 1-methyl-4-pyrrolidin-1-ylbenzotriazole?
The canonical SMILES for 1-methyl-4-pyrrolidin-1-ylbenzotriazole is Cn1nnc2c(N3CCCC3)cccc21.
What is the InChIKey of 1-methyl-4-pyrrolidin-1-ylbenzotriazole?
The InChIKey is ZDVOZSJSKJHEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-14-9-5-4-6-10(11(9)12-13-14)15-7-2-3-8-15/h4-6H,2-3,7-8H2,1H3.
What are the key properties of 1-methyl-4-pyrrolidin-1-ylbenzotriazole?
1-methyl-4-pyrrolidin-1-ylbenzotriazole has a molecular weight of 202.26 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyrrolidin-1-ylbenzotriazole is sourced from PubChem (CID 168513099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).