6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C18H23N7 — CID 126911067

IUPAC6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cnc(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1
InChIInChI=1S/C18H23N7/c1-23-10-15(19-12-23)11-24-8-6-14(7-9-24)18-21-20-17-5-4-16(13-2-3-13)22-25(17)18/h4-5,10,12-14H,2-3,6-9,11H2,1H3
InChIKeyGGSDTVYIRCTCSY-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.11
Rot. Bonds4

About 6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126911067) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126911067
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cnc(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1
InChIInChI=1S/C18H23N7/c1-23-10-15(19-12-23)11-24-8-6-14(7-9-24)18-21-20-17-5-4-16(13-2-3-13)22-25(17)18/h4-5,10,12-14H,2-3,6-9,11H2,1H3
InChIKeyGGSDTVYIRCTCSY-UHFFFAOYSA-N
XLogP2.11
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-3-[1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911035
3-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 126911048
5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126911027
6-cyclopropyl-3-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911074
6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910977
6-cyclopropyl-3-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910994
6-cyclopropyl-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911116
6-cyclopropyl-3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911111
4-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]thiane 1,1-dioxide
CID 126911106
6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
CID 126912061
4-[[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 126911668
4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 126912705

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 126911067) is 6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Cn1cnc(CN2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c1.
What is the InChIKey of 6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GGSDTVYIRCTCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-23-10-15(19-12-23)11-24-8-6-14(7-9-24)18-21-20-17-5-4-16(13-2-3-13)22-25(17)18/h4-5,10,12-14H,2-3,6-9,11H2,1H3.
What are the key properties of 6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 337.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126911067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).