N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C19H16N6O — CID 121432827

IUPACN-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESc1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1
InChIInChI=1S/C19H16N6O/c1-3-14(15-6-8-26-17(15)5-1)10-21-19-22-11-16(13-4-2-7-20-9-13)18-24-23-12-25(18)19/h1-5,7,9,11-12H,6,8,10H2,(H,21,22)
InChIKeyVFLXVDWCZHLLLM-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.73
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 121432827) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID121432827
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESc1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1
InChIInChI=1S/C19H16N6O/c1-3-14(15-6-8-26-17(15)5-1)10-21-19-22-11-16(13-4-2-7-20-9-13)18-24-23-12-25(18)19/h1-5,7,9,11-12H,6,8,10H2,(H,21,22)
InChIKeyVFLXVDWCZHLLLM-UHFFFAOYSA-N
XLogP2.73
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 121432827) is N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is c1cncc(-c2cnc(NCc3cccc4c3CCO4)n3cnnc23)c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is VFLXVDWCZHLLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-3-14(15-6-8-26-17(15)5-1)10-21-19-22-11-16(13-4-2-7-20-9-13)18-24-23-12-25(18)19/h1-5,7,9,11-12H,6,8,10H2,(H,21,22).
What are the key properties of N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 344.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-pyridin-3-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 121432827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).