4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine

C19H15FN8 — CID 10067992

IUPAC4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cn(C3=Nn4cnnc4CC3)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H15FN8/c20-14-3-1-12(2-4-14)19-15(13-7-8-22-16(21)9-13)10-27(26-19)18-6-5-17-24-23-11-28(17)25-18/h1-4,7-11H,5-6H2,(H2,21,22)
InChIKeyMYMSCEYQMHNFQH-UHFFFAOYSA-N
MW374.38 g/mol
LogP2.58
Rot. Bonds2

About 4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine

4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 10067992) has the molecular formula C19H15FN8 and a molecular weight of 374.38 g/mol. Its IUPAC name is 4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine
PubChem CID10067992
Molecular FormulaC19H15FN8
Molecular Weight374.38 g/mol
Exact Mass374.14
IUPAC Name4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cn(C3=Nn4cnnc4CC3)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H15FN8/c20-14-3-1-12(2-4-14)19-15(13-7-8-22-16(21)9-13)10-27(26-19)18-6-5-17-24-23-11-28(17)25-18/h1-4,7-11H,5-6H2,(H2,21,22)
InChIKeyMYMSCEYQMHNFQH-UHFFFAOYSA-N
XLogP2.58
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine (CID 10067992) is 4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine is Nc1cc(-c2cn(C3=Nn4cnnc4CC3)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is MYMSCEYQMHNFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN8/c20-14-3-1-12(2-4-14)19-15(13-7-8-22-16(21)9-13)10-27(26-19)18-6-5-17-24-23-11-28(17)25-18/h1-4,7-11H,5-6H2,(H2,21,22).
What are the key properties of 4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine?
4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 374.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3-(4-fluorophenyl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 10067992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).