3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine

C19H20N6O — CID 43816131

IUPAC3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nc(NCc2ccco2)c2nnn(Cc3ccccc3)c2n1
InChIInChI=1S/C19H20N6O/c1-2-7-16-21-18(20-12-15-10-6-11-26-15)17-19(22-16)25(24-23-17)13-14-8-4-3-5-9-14/h3-6,8-11H,2,7,12-13H2,1H3,(H,20,21,22)
InChIKeyVDQPGPRXTVILJM-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.43
Rot. Bonds7

About 3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine

3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 43816131) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID43816131
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCCCc1nc(NCc2ccco2)c2nnn(Cc3ccccc3)c2n1
InChIInChI=1S/C19H20N6O/c1-2-7-16-21-18(20-12-15-10-6-11-26-15)17-19(22-16)25(24-23-17)13-14-8-4-3-5-9-14/h3-6,8-11H,2,7,12-13H2,1H3,(H,20,21,22)
InChIKeyVDQPGPRXTVILJM-UHFFFAOYSA-N
XLogP3.43
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine (CID 43816131) is 3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine is CCCc1nc(NCc2ccco2)c2nnn(Cc3ccccc3)c2n1.
What is the InChIKey of 3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is VDQPGPRXTVILJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-2-7-16-21-18(20-12-15-10-6-11-26-15)17-19(22-16)25(24-23-17)13-14-8-4-3-5-9-14/h3-6,8-11H,2,7,12-13H2,1H3,(H,20,21,22).
What are the key properties of 3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine?
3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 348.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 43816131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).