3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H18FN5O — CID 133295075

IUPAC3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCOc1ccc(CNc2ccc3nnc(C4CC4)n3n2)cc1F
InChIInChI=1S/C17H18FN5O/c1-2-24-14-6-3-11(9-13(14)18)10-19-15-7-8-16-20-21-17(12-4-5-12)23(16)22-15/h3,6-9,12H,2,4-5,10H2,1H3,(H,19,22)
InChIKeyDQJBYTVUXMRVGU-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.15
Rot. Bonds6

About 3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133295075) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133295075
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCOc1ccc(CNc2ccc3nnc(C4CC4)n3n2)cc1F
InChIInChI=1S/C17H18FN5O/c1-2-24-14-6-3-11(9-13(14)18)10-19-15-7-8-16-20-21-17(12-4-5-12)23(16)22-15/h3,6-9,12H,2,4-5,10H2,1H3,(H,19,22)
InChIKeyDQJBYTVUXMRVGU-UHFFFAOYSA-N
XLogP3.15
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

6-[(4-ethoxy-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133329611
3-cyclopropyl-N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133445550
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 20878006
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133274479
N-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 115118835
N-[(4-fluoro-3-methylphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 24587903
3-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136524598
1-[(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 71977966
N-[2-(2-bromo-5-chlorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133387538
N-[1-(2-chloro-4-fluorophenyl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133305056
N-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 91650469
1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133295075) is 3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCOc1ccc(CNc2ccc3nnc(C4CC4)n3n2)cc1F.
What is the InChIKey of 3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is DQJBYTVUXMRVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-2-24-14-6-3-11(9-13(14)18)10-19-15-7-8-16-20-21-17(12-4-5-12)23(16)22-15/h3,6-9,12H,2,4-5,10H2,1H3,(H,19,22).
What are the key properties of 3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 327.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(4-ethoxy-3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133295075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).