6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

C14H13ClN6 — CID 10979520

IUPAC6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1nn2c(-c3cccnc3)nnc2cc1N1CCCC1
InChIInChI=1S/C14H13ClN6/c15-13-11(20-6-1-2-7-20)8-12-17-18-14(21(12)19-13)10-4-3-5-16-9-10/h3-5,8-9H,1-2,6-7H2
InChIKeyZZSDNXVWBHGLAO-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.44
Rot. Bonds2

About 6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 10979520) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID10979520
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1nn2c(-c3cccnc3)nnc2cc1N1CCCC1
InChIInChI=1S/C14H13ClN6/c15-13-11(20-6-1-2-7-20)8-12-17-18-14(21(12)19-13)10-4-3-5-16-9-10/h3-5,8-9H,1-2,6-7H2
InChIKeyZZSDNXVWBHGLAO-UHFFFAOYSA-N
XLogP2.44
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 10979520) is 6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is Clc1nn2c(-c3cccnc3)nnc2cc1N1CCCC1.
What is the InChIKey of 6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZZSDNXVWBHGLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6/c15-13-11(20-6-1-2-7-20)8-12-17-18-14(21(12)19-13)10-4-3-5-16-9-10/h3-5,8-9H,1-2,6-7H2.
What are the key properties of 6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 300.75 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-pyridin-3-yl-7-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 10979520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).