6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C19H22N8 — CID 178158842

IUPAC6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCn1nc([C@@H]2C[C@H]2c2cnn(C)c2)cc1-c1cc(C)c2nnc(C)n2n1
InChIInChI=1S/C19H22N8/c1-5-26-18(17-6-11(2)19-22-21-12(3)27(19)24-17)8-16(23-26)15-7-14(15)13-9-20-25(4)10-13/h6,8-10,14-15H,5,7H2,1-4H3/t14-,15+/m0/s1
InChIKeyHFQNPFYSCKANTQ-LSDHHAIUSA-N
MW362.44 g/mol
LogP2.63
Rot. Bonds4

About 6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 178158842) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID178158842
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCn1nc([C@@H]2C[C@H]2c2cnn(C)c2)cc1-c1cc(C)c2nnc(C)n2n1
InChIInChI=1S/C19H22N8/c1-5-26-18(17-6-11(2)19-22-21-12(3)27(19)24-17)8-16(23-26)15-7-14(15)13-9-20-25(4)10-13/h6,8-10,14-15H,5,7H2,1-4H3/t14-,15+/m0/s1
InChIKeyHFQNPFYSCKANTQ-LSDHHAIUSA-N
XLogP2.63
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 178158842) is 6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is CCn1nc([C@@H]2C[C@H]2c2cnn(C)c2)cc1-c1cc(C)c2nnc(C)n2n1.
What is the InChIKey of 6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HFQNPFYSCKANTQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H22N8/c1-5-26-18(17-6-11(2)19-22-21-12(3)27(19)24-17)8-16(23-26)15-7-14(15)13-9-20-25(4)10-13/h6,8-10,14-15H,5,7H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of 6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 362.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 178158842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).