3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine

C20H26N6O — CID 647323

IUPAC3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)(C)c1nc(NCC2CCCO2)c2nnn(Cc3ccccc3)c2n1
InChIInChI=1S/C20H26N6O/c1-20(2,3)19-22-17(21-12-15-10-7-11-27-15)16-18(23-19)26(25-24-16)13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,21,22,23)
InChIKeyANIMBGFSFYEPKZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.16
Rot. Bonds5

About 3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine

3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 647323) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID647323
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)(C)c1nc(NCC2CCCO2)c2nnn(Cc3ccccc3)c2n1
InChIInChI=1S/C20H26N6O/c1-20(2,3)19-22-17(21-12-15-10-7-11-27-15)16-18(23-19)26(25-24-16)13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,21,22,23)
InChIKeyANIMBGFSFYEPKZ-UHFFFAOYSA-N
XLogP3.16
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 647323) is 3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine is CC(C)(C)c1nc(NCC2CCCO2)c2nnn(Cc3ccccc3)c2n1.
What is the InChIKey of 3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ANIMBGFSFYEPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-20(2,3)19-22-17(21-12-15-10-7-11-27-15)16-18(23-19)26(25-24-16)13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,21,22,23).
What are the key properties of 3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine?
3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 366.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-tert-butyl-N-(oxolan-2-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 647323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).