3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine

C20H25N7O — CID 1433989

IUPAC3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESc1ccc(Cn2nnc3c(NCCN4CCOCC4)nc(C4CC4)nc32)cc1
InChIInChI=1S/C20H25N7O/c1-2-4-15(5-3-1)14-27-20-17(24-25-27)19(22-18(23-20)16-6-7-16)21-8-9-26-10-12-28-13-11-26/h1-5,16H,6-14H2,(H,21,22,23)
InChIKeyGICLGXQHLCQKRR-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.89
Rot. Bonds7

About 3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine

3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 1433989) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID1433989
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESc1ccc(Cn2nnc3c(NCCN4CCOCC4)nc(C4CC4)nc32)cc1
InChIInChI=1S/C20H25N7O/c1-2-4-15(5-3-1)14-27-20-17(24-25-27)19(22-18(23-20)16-6-7-16)21-8-9-26-10-12-28-13-11-26/h1-5,16H,6-14H2,(H,21,22,23)
InChIKeyGICLGXQHLCQKRR-UHFFFAOYSA-N
XLogP1.89
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 1433989) is 3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine is c1ccc(Cn2nnc3c(NCCN4CCOCC4)nc(C4CC4)nc32)cc1.
What is the InChIKey of 3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is GICLGXQHLCQKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-2-4-15(5-3-1)14-27-20-17(24-25-27)19(22-18(23-20)16-6-7-16)21-8-9-26-10-12-28-13-11-26/h1-5,16H,6-14H2,(H,21,22,23).
What are the key properties of 3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine?
3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 379.47 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-cyclopropyl-N-(2-morpholin-4-ylethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 1433989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).