3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C13H16FN5 — CID 166183359

IUPAC3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFCC1CCCN1c1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C13H16FN5/c14-8-10-2-1-7-18(10)12-6-5-11-15-16-13(9-3-4-9)19(11)17-12/h5-6,9-10H,1-4,7-8H2
InChIKeyBTGZIWNYCLSIIG-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.94
Rot. Bonds3

About 3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 166183359) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID166183359
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFCC1CCCN1c1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C13H16FN5/c14-8-10-2-1-7-18(10)12-6-5-11-15-16-13(9-3-4-9)19(11)17-12/h5-6,9-10H,1-4,7-8H2
InChIKeyBTGZIWNYCLSIIG-UHFFFAOYSA-N
XLogP1.94
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166279008
3-cyclopropyl-6-[2-(2-phenylethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133406824
3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133333569
3-methyl-6-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166303869
3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912372
[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-2-yl]methanamine
CID 106950588
2-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 163344367
3-cyclopropyl-6-(2,5,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 166293637
3-(1-cyclopentylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912364
3-cyclopropyl-6-[3-(phenoxymethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133308216
6-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 154748330
3-methyl-6-[2-(2-phenylethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133406852

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 166183359) is 3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is FCC1CCCN1c1ccc2nnc(C3CC3)n2n1.
What is the InChIKey of 3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BTGZIWNYCLSIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c14-8-10-2-1-7-18(10)12-6-5-11-15-16-13(9-3-4-9)19(11)17-12/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 261.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[2-(fluoromethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 166183359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).