8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C15H15N5O2 — CID 138516138

IUPAC8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESC1=C(c2cnc(NCc3ccco3)n3cnnc23)CCOC1
InChIInChI=1S/C15H15N5O2/c1-2-12(22-5-1)8-16-15-17-9-13(11-3-6-21-7-4-11)14-19-18-10-20(14)15/h1-3,5,9-10H,4,6-8H2,(H,16,17)
InChIKeyWOEKJRLDGHOOOO-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.13
Rot. Bonds4

About 8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 138516138) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID138516138
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESC1=C(c2cnc(NCc3ccco3)n3cnnc23)CCOC1
InChIInChI=1S/C15H15N5O2/c1-2-12(22-5-1)8-16-15-17-9-13(11-3-6-21-7-4-11)14-19-18-10-20(14)15/h1-3,5,9-10H,4,6-8H2,(H,16,17)
InChIKeyWOEKJRLDGHOOOO-UHFFFAOYSA-N
XLogP2.13
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 138516138) is 8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is C1=C(c2cnc(NCc3ccco3)n3cnnc23)CCOC1.
What is the InChIKey of 8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is WOEKJRLDGHOOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-2-12(22-5-1)8-16-15-17-9-13(11-3-6-21-7-4-11)14-19-18-10-20(14)15/h1-3,5,9-10H,4,6-8H2,(H,16,17).
What are the key properties of 8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 297.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,6-dihydro-2H-pyran-4-yl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 138516138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).