2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C21H15FN8 — CID 156821415

IUPAC2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C21H15FN8/c22-15-7-4-9-24-16(15)11-17-27-20-18(14-8-10-25-26-12-14)19(13-5-2-1-3-6-13)28-21(23)30(20)29-17/h1-10,12H,11H2,(H2,23,28)
InChIKeyGJIKYVGVZVLJJP-UHFFFAOYSA-N
MW398.41 g/mol
LogP2.96
Rot. Bonds4

About 2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 156821415) has the molecular formula C21H15FN8 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID156821415
Molecular FormulaC21H15FN8
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C21H15FN8/c22-15-7-4-9-24-16(15)11-17-27-20-18(14-8-10-25-26-12-14)19(13-5-2-1-3-6-13)28-21(23)30(20)29-17/h1-10,12H,11H2,(H2,23,28)
InChIKeyGJIKYVGVZVLJJP-UHFFFAOYSA-N
XLogP2.96
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 156821415) is 2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(Cc3ncccc3F)nn12.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is GJIKYVGVZVLJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN8/c22-15-7-4-9-24-16(15)11-17-27-20-18(14-8-10-25-26-12-14)19(13-5-2-1-3-6-13)28-21(23)30(20)29-17/h1-10,12H,11H2,(H2,23,28).
What are the key properties of 2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 398.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 156821415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).