1-(pyrrolidin-1-ylmethyl)benzotriazole

C11H14N4 — CID 29502

IUPAC1-(pyrrolidin-1-ylmethyl)benzotriazole
SMILESc1ccc2c(c1)nnn2CN1CCCC1
InChIInChI=1S/C11H14N4/c1-2-6-11-10(5-1)12-13-15(11)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
InChIKeyURXUWDKSGHWDFQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.48
Rot. Bonds2

About 1-(pyrrolidin-1-ylmethyl)benzotriazole

1-(pyrrolidin-1-ylmethyl)benzotriazole (PubChem CID 29502) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(pyrrolidin-1-ylmethyl)benzotriazole.

Molecular Properties

Compound Name1-(pyrrolidin-1-ylmethyl)benzotriazole
PubChem CID29502
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-(pyrrolidin-1-ylmethyl)benzotriazole
SMILESc1ccc2c(c1)nnn2CN1CCCC1
InChIInChI=1S/C11H14N4/c1-2-6-11-10(5-1)12-13-15(11)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
InChIKeyURXUWDKSGHWDFQ-UHFFFAOYSA-N
XLogP1.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-1-ylmethyl)benzotriazole?
The IUPAC name of 1-(pyrrolidin-1-ylmethyl)benzotriazole (CID 29502) is 1-(pyrrolidin-1-ylmethyl)benzotriazole.
What is the SMILES notation for 1-(pyrrolidin-1-ylmethyl)benzotriazole?
The canonical SMILES for 1-(pyrrolidin-1-ylmethyl)benzotriazole is c1ccc2c(c1)nnn2CN1CCCC1.
What is the InChIKey of 1-(pyrrolidin-1-ylmethyl)benzotriazole?
The InChIKey is URXUWDKSGHWDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-6-11-10(5-1)12-13-15(11)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 1-(pyrrolidin-1-ylmethyl)benzotriazole?
1-(pyrrolidin-1-ylmethyl)benzotriazole has a molecular weight of 202.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-1-ylmethyl)benzotriazole is sourced from PubChem (CID 29502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).