4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine

C19H24N6O — CID 1433968

IUPAC4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESCC(C)Cc1nc(N2CCOCC2)c2nnn(Cc3ccccc3)c2n1
InChIInChI=1S/C19H24N6O/c1-14(2)12-16-20-18(24-8-10-26-11-9-24)17-19(21-16)25(23-22-17)13-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyIZNAZSYPWQIHEX-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.30
Rot. Bonds5

About 4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine

4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine (PubChem CID 1433968) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine
PubChem CID1433968
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine
SMILESCC(C)Cc1nc(N2CCOCC2)c2nnn(Cc3ccccc3)c2n1
InChIInChI=1S/C19H24N6O/c1-14(2)12-16-20-18(24-8-10-26-11-9-24)17-19(21-16)25(23-22-17)13-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3
InChIKeyIZNAZSYPWQIHEX-UHFFFAOYSA-N
XLogP2.30
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine (CID 1433968) is 4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine is CC(C)Cc1nc(N2CCOCC2)c2nnn(Cc3ccccc3)c2n1.
What is the InChIKey of 4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine?
The InChIKey is IZNAZSYPWQIHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-14(2)12-16-20-18(24-8-10-26-11-9-24)17-19(21-16)25(23-22-17)13-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine?
4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine has a molecular weight of 352.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-benzyl-5-(2-methylpropyl)triazolo[4,5-d]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 1433968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).