6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C14H11ClN4O — CID 63589823

IUPAC6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(C3COc4ccccc4C3)n2n1
InChIInChI=1S/C14H11ClN4O/c15-12-5-6-13-16-17-14(19(13)18-12)10-7-9-3-1-2-4-11(9)20-8-10/h1-6,10H,7-8H2
InChIKeyDHESPUFCSXFBCM-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.50
Rot. Bonds1

About 6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 63589823) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID63589823
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(C3COc4ccccc4C3)n2n1
InChIInChI=1S/C14H11ClN4O/c15-12-5-6-13-16-17-14(19(13)18-12)10-7-9-3-1-2-4-11(9)20-8-10/h1-6,10H,7-8H2
InChIKeyDHESPUFCSXFBCM-UHFFFAOYSA-N
XLogP2.50
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555460
3-(4-butylcyclohexyl)-6-chloro-[1,2,4]triazolo[4,3-b]pyridazine
CID 43327033
5-bromo-4-chloro-6-cyclopropyl-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine
CID 66292068
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84700446
6-chloro-3-(thian-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 80595030
4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
CID 65407928
(3S)-3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene
CID 100986544
N-[2-[5-(3,4-dihydro-2H-chromen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 63589115
(1R,2R,3R,4R)-3-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 101393824
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855939
2-[5-[(3S)-3,4-dihydro-2H-chromen-3-yl]-1-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]pyridine
CID 97452288
4-(3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
CID 139809687

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 63589823) is 6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(C3COc4ccccc4C3)n2n1.
What is the InChIKey of 6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DHESPUFCSXFBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-12-5-6-13-16-17-14(19(13)18-12)10-7-9-3-1-2-4-11(9)20-8-10/h1-6,10H,7-8H2.
What are the key properties of 6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 286.72 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,4-dihydro-2H-chromen-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 63589823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).