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

C19H15FN6O — CID 121432929

IUPACN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESFc1ccc2c(c1CNc1ncc(-c3ccncc3)c3nncn13)CCO2
InChIInChI=1S/C19H15FN6O/c20-16-1-2-17-13(5-8-27-17)15(16)10-23-19-22-9-14(12-3-6-21-7-4-12)18-25-24-11-26(18)19/h1-4,6-7,9,11H,5,8,10H2,(H,22,23)
InChIKeyCSPXDMZBCCSNGU-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.87
Rot. Bonds4

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 121432929) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID121432929
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESFc1ccc2c(c1CNc1ncc(-c3ccncc3)c3nncn13)CCO2
InChIInChI=1S/C19H15FN6O/c20-16-1-2-17-13(5-8-27-17)15(16)10-23-19-22-9-14(12-3-6-21-7-4-12)18-25-24-11-26(18)19/h1-4,6-7,9,11H,5,8,10H2,(H,22,23)
InChIKeyCSPXDMZBCCSNGU-UHFFFAOYSA-N
XLogP2.87
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 121432929) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is Fc1ccc2c(c1CNc1ncc(-c3ccncc3)c3nncn13)CCO2.
What is the InChIKey of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is CSPXDMZBCCSNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c20-16-1-2-17-13(5-8-27-17)15(16)10-23-19-22-9-14(12-3-6-21-7-4-12)18-25-24-11-26(18)19/h1-4,6-7,9,11H,5,8,10H2,(H,22,23).
What are the key properties of N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 362.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 121432929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).