N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H19FN8 — CID 167759933

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(C)CCn1cc(Nc2ccc3nnc(-c4ccc(F)cc4)n3n2)cn1
InChIInChI=1S/C18H19FN8/c1-25(2)9-10-26-12-15(11-20-26)21-16-7-8-17-22-23-18(27(17)24-16)13-3-5-14(19)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyCJLSKGXQGPGFAA-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.43
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 167759933) has the molecular formula C18H19FN8 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID167759933
Molecular FormulaC18H19FN8
Molecular Weight366.40 g/mol
Exact Mass366.17
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(C)CCn1cc(Nc2ccc3nnc(-c4ccc(F)cc4)n3n2)cn1
InChIInChI=1S/C18H19FN8/c1-25(2)9-10-26-12-15(11-20-26)21-16-7-8-17-22-23-18(27(17)24-16)13-3-5-14(19)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyCJLSKGXQGPGFAA-UHFFFAOYSA-N
XLogP2.43
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 167759933) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN(C)CCn1cc(Nc2ccc3nnc(-c4ccc(F)cc4)n3n2)cn1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is CJLSKGXQGPGFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN8/c1-25(2)9-10-26-12-15(11-20-26)21-16-7-8-17-22-23-18(27(17)24-16)13-3-5-14(19)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 366.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 167759933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).