5-methyl-2-pyrrolidin-1-ylbenzotriazole

C11H14N4 — CID 102225688

IUPAC5-methyl-2-pyrrolidin-1-ylbenzotriazole
SMILESCc1ccc2nn(N3CCCC3)nc2c1
InChIInChI=1S/C11H14N4/c1-9-4-5-10-11(8-9)13-15(12-10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyWCZIWXYLAHLRFZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.47
Rot. Bonds1

About 5-methyl-2-pyrrolidin-1-ylbenzotriazole

5-methyl-2-pyrrolidin-1-ylbenzotriazole (PubChem CID 102225688) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-methyl-2-pyrrolidin-1-ylbenzotriazole.

Molecular Properties

Compound Name5-methyl-2-pyrrolidin-1-ylbenzotriazole
PubChem CID102225688
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-methyl-2-pyrrolidin-1-ylbenzotriazole
SMILESCc1ccc2nn(N3CCCC3)nc2c1
InChIInChI=1S/C11H14N4/c1-9-4-5-10-11(8-9)13-15(12-10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChIKeyWCZIWXYLAHLRFZ-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrolidin-1-ylbenzotriazole?
The IUPAC name of 5-methyl-2-pyrrolidin-1-ylbenzotriazole (CID 102225688) is 5-methyl-2-pyrrolidin-1-ylbenzotriazole.
What is the SMILES notation for 5-methyl-2-pyrrolidin-1-ylbenzotriazole?
The canonical SMILES for 5-methyl-2-pyrrolidin-1-ylbenzotriazole is Cc1ccc2nn(N3CCCC3)nc2c1.
What is the InChIKey of 5-methyl-2-pyrrolidin-1-ylbenzotriazole?
The InChIKey is WCZIWXYLAHLRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9-4-5-10-11(8-9)13-15(12-10)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 5-methyl-2-pyrrolidin-1-ylbenzotriazole?
5-methyl-2-pyrrolidin-1-ylbenzotriazole has a molecular weight of 202.26 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrrolidin-1-ylbenzotriazole is sourced from PubChem (CID 102225688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).