3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

C18H22N8 — CID 133448651

IUPAC3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCc1ccn(-c2ccc(N3CCC(c4nncn4C4CC4)CC3)nn2)n1
InChIInChI=1S/C18H22N8/c1-13-6-11-26(23-13)17-5-4-16(20-21-17)24-9-7-14(8-10-24)18-22-19-12-25(18)15-2-3-15/h4-6,11-12,14-15H,2-3,7-10H2,1H3
InChIKeyDKNMMSLXGFGTOG-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.28
Rot. Bonds4

About 3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine

3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (PubChem CID 133448651) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
PubChem CID133448651
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
SMILESCc1ccn(-c2ccc(N3CCC(c4nncn4C4CC4)CC3)nn2)n1
InChIInChI=1S/C18H22N8/c1-13-6-11-26(23-13)17-5-4-16(20-21-17)24-9-7-14(8-10-24)18-22-19-12-25(18)15-2-3-15/h4-6,11-12,14-15H,2-3,7-10H2,1H3
InChIKeyDKNMMSLXGFGTOG-UHFFFAOYSA-N
XLogP2.28
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 71925586
3-(3-methylpyrazol-1-yl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133317757
9-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 167982921
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
CID 133290493
3-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 133363047
2-tert-butyl-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 139004229
N-[1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 133291492
3-methyl-1-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]pyrrolidin-3-ol
CID 133410717
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
6-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 154576000
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133448620
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine (CID 133448651) is 3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is Cc1ccn(-c2ccc(N3CCC(c4nncn4C4CC4)CC3)nn2)n1.
What is the InChIKey of 3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
The InChIKey is DKNMMSLXGFGTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-13-6-11-26(23-13)17-5-4-16(20-21-17)24-9-7-14(8-10-24)18-22-19-12-25(18)15-2-3-15/h4-6,11-12,14-15H,2-3,7-10H2,1H3.
What are the key properties of 3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine?
3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine has a molecular weight of 350.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 133448651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).