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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Related Compounds

1-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridine
CID 135966088
6,12-Diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene
CID 4799062
4-(3-Aminopropyl)-1-methyl-1H-pyrazol-5-amine
CID 11586329
3-(5-Amino-1-methylpyrazol-4-yl)propylamine dihydrochloride
CID 17962033
4-(3-Aminopropyl)-1,2-dimethylpyrazol-2-ium-5-amine
CID 59731826
1-Methyl-4-propyl-1H-pyrazol-5-amine
CID 79404972
2,6-Dimethyl-4,5-dihydropyrazolo[3,4-b]pyridine
CID 90364017
3-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propylamine
CID 135732764
1-(Propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridine
CID 136308310
1-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propane-1,3-diamine hydrochloride
CID 136389452
1-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propane-1,3-diamine
CID 136389453
2-Methyl-4,5,6,7-tetrahydropyrazolo[3,4-b]pyridine
CID 137120089

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).