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

C20H19N7O — CID 156821361

IUPAC2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(C[C@@H]3CCCO3)nn12
InChIInChI=1S/C20H19N7O/c21-20-25-18(13-5-2-1-3-6-13)17(14-8-9-22-23-12-14)19-24-16(26-27(19)20)11-15-7-4-10-28-15/h1-3,5-6,8-9,12,15H,4,7,10-11H2,(H2,21,25)/t15-/m0/s1
InChIKeyWXYARKYAYUTGKX-HNNXBMFYSA-N
MW373.42 g/mol
LogP2.55
Rot. Bonds4

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

2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 156821361) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID156821361
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(C[C@@H]3CCCO3)nn12
InChIInChI=1S/C20H19N7O/c21-20-25-18(13-5-2-1-3-6-13)17(14-8-9-22-23-12-14)19-24-16(26-27(19)20)11-15-7-4-10-28-15/h1-3,5-6,8-9,12,15H,4,7,10-11H2,(H2,21,25)/t15-/m0/s1
InChIKeyWXYARKYAYUTGKX-HNNXBMFYSA-N
XLogP2.55
TPSA104.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 156821361) is 2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ccccc2)c(-c2ccnnc2)c2nc(C[C@@H]3CCCO3)nn12.
What is the InChIKey of 2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is WXYARKYAYUTGKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N7O/c21-20-25-18(13-5-2-1-3-6-13)17(14-8-9-22-23-12-14)19-24-16(26-27(19)20)11-15-7-4-10-28-15/h1-3,5-6,8-9,12,15H,4,7,10-11H2,(H2,21,25)/t15-/m0/s1.
What are the key properties of 2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 373.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-oxolan-2-yl]methyl]-7-phenyl-8-pyridazin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 156821361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).