1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine

C8H11N5 — CID 163938609

IUPAC1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine
SMILES[H]/N=C(\C)C1=NCNc2c1cnn2C
InChIInChI=1S/C8H11N5/c1-5(9)7-6-3-12-13(2)8(6)11-4-10-7/h3,9,11H,4H2,1-2H3/b9-5+
InChIKeyRPAFMQGLWTVHPC-WEVVVXLNSA-N
MW177.21 g/mol
LogP0.63
Rot. Bonds1

About 1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine

1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine (PubChem CID 163938609) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine.

Molecular Properties

Compound Name1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine
PubChem CID163938609
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine
SMILES[H]/N=C(\C)C1=NCNc2c1cnn2C
InChIInChI=1S/C8H11N5/c1-5(9)7-6-3-12-13(2)8(6)11-4-10-7/h3,9,11H,4H2,1-2H3/b9-5+
InChIKeyRPAFMQGLWTVHPC-WEVVVXLNSA-N
XLogP0.63
TPSA66.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine?
The IUPAC name of 1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine (CID 163938609) is 1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine.
What is the SMILES notation for 1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine?
The canonical SMILES for 1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine is [H]/N=C(\C)C1=NCNc2c1cnn2C.
What is the InChIKey of 1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine?
The InChIKey is RPAFMQGLWTVHPC-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H11N5/c1-5(9)7-6-3-12-13(2)8(6)11-4-10-7/h3,9,11H,4H2,1-2H3/b9-5+.
What are the key properties of 1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine?
1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine has a molecular weight of 177.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6,7-dihydropyrazolo[5,4-d]pyrimidin-4-yl)ethanimine is sourced from PubChem (CID 163938609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).