5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine

C18H21N7 — CID 70688895

IUPAC5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCN1Cc2ccccc2CC1Cn1nnc2c(N)nc(C3CC3)nc21
InChIInChI=1S/C18H21N7/c1-24-9-13-5-3-2-4-12(13)8-14(24)10-25-18-15(22-23-25)16(19)20-17(21-18)11-6-7-11/h2-5,11,14H,6-10H2,1H3,(H2,19,20,21)
InChIKeyQHMVRLUDLVYFIO-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.74
Rot. Bonds3

About 5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine

5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 70688895) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID70688895
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCN1Cc2ccccc2CC1Cn1nnc2c(N)nc(C3CC3)nc21
InChIInChI=1S/C18H21N7/c1-24-9-13-5-3-2-4-12(13)8-14(24)10-25-18-15(22-23-25)16(19)20-17(21-18)11-6-7-11/h2-5,11,14H,6-10H2,1H3,(H2,19,20,21)
InChIKeyQHMVRLUDLVYFIO-UHFFFAOYSA-N
XLogP1.74
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 70688895) is 5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is CN1Cc2ccccc2CC1Cn1nnc2c(N)nc(C3CC3)nc21.
What is the InChIKey of 5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QHMVRLUDLVYFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-24-9-13-5-3-2-4-12(13)8-14(24)10-25-18-15(22-23-25)16(19)20-17(21-18)11-6-7-11/h2-5,11,14H,6-10H2,1H3,(H2,19,20,21).
What are the key properties of 5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 335.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 70688895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).