5-chloro-2-pyrrolidin-1-ylbenzotriazole

C10H11ClN4 — CID 125494568

IUPAC5-chloro-2-pyrrolidin-1-ylbenzotriazole
SMILESClc1ccc2nn(N3CCCC3)nc2c1
InChIInChI=1S/C10H11ClN4/c11-8-3-4-9-10(7-8)13-15(12-9)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyMXBIZNAIBDUCHK-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.82
Rot. Bonds1

About 5-chloro-2-pyrrolidin-1-ylbenzotriazole

5-chloro-2-pyrrolidin-1-ylbenzotriazole (PubChem CID 125494568) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-chloro-2-pyrrolidin-1-ylbenzotriazole.

Molecular Properties

Compound Name5-chloro-2-pyrrolidin-1-ylbenzotriazole
PubChem CID125494568
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name5-chloro-2-pyrrolidin-1-ylbenzotriazole
SMILESClc1ccc2nn(N3CCCC3)nc2c1
InChIInChI=1S/C10H11ClN4/c11-8-3-4-9-10(7-8)13-15(12-9)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyMXBIZNAIBDUCHK-UHFFFAOYSA-N
XLogP1.82
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-pyrrolidin-1-ylbenzotriazole
CID 102225688
2-(5-chlorobenzotriazol-2-yl)acetonitrile
CID 83968956
5-chloro-2-prop-2-enylbenzotriazole
CID 59327608
5,7-dichloro-3-piperidin-1-ylquinazolin-4-one
CID 143696564
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole
CID 57072452
2-(6-chloro-1-piperidin-1-ylbenzimidazol-2-yl)sulfanylacetic acid
CID 83017273
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
1-(3-chlorophenyl)azonane
CID 145391535
2,6-dichloro-4-pyrrolidin-1-ylquinazoline
CID 114692901
6-chloro-1-cyclobutylbenzimidazole
CID 126553044
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrrolidin-1-ylbenzotriazole?
The IUPAC name of 5-chloro-2-pyrrolidin-1-ylbenzotriazole (CID 125494568) is 5-chloro-2-pyrrolidin-1-ylbenzotriazole.
What is the SMILES notation for 5-chloro-2-pyrrolidin-1-ylbenzotriazole?
The canonical SMILES for 5-chloro-2-pyrrolidin-1-ylbenzotriazole is Clc1ccc2nn(N3CCCC3)nc2c1.
What is the InChIKey of 5-chloro-2-pyrrolidin-1-ylbenzotriazole?
The InChIKey is MXBIZNAIBDUCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c11-8-3-4-9-10(7-8)13-15(12-9)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2.
What are the key properties of 5-chloro-2-pyrrolidin-1-ylbenzotriazole?
5-chloro-2-pyrrolidin-1-ylbenzotriazole has a molecular weight of 222.68 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrrolidin-1-ylbenzotriazole is sourced from PubChem (CID 125494568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).