N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine

C8H14N4 — CID 83862241

IUPACN-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine
SMILESCNCc1nn(C)c2c1CNC2
InChIInChI=1S/C8H14N4/c1-9-4-7-6-3-10-5-8(6)12(2)11-7/h9-10H,3-5H2,1-2H3
InChIKeyRFYTUYXYOYGZKW-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.26
Rot. Bonds2

About N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine

N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine (PubChem CID 83862241) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine
PubChem CID83862241
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine
SMILESCNCc1nn(C)c2c1CNC2
InChIInChI=1S/C8H14N4/c1-9-4-7-6-3-10-5-8(6)12(2)11-7/h9-10H,3-5H2,1-2H3
InChIKeyRFYTUYXYOYGZKW-UHFFFAOYSA-N
XLogP-0.26
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine
CID 84618281
(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methanol;dihydrochloride
CID 50944322
N-methyl-1-[6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yl]methanamine
CID 175853527
1,1-dimethyl-3-[(1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methyl]urea
CID 154776355
1,3-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 75465061
N-methyl-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)ethanamine
CID 84665096
1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 83847341
N,1-dimethyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 84665511
3-[2-(4-methoxyphenyl)ethyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82588360
3-methoxy-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83845943
3-cyclohexyl-1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine
CID 83849486
3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 83850624

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine (CID 83862241) is N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine is CNCc1nn(C)c2c1CNC2.
What is the InChIKey of N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine?
The InChIKey is RFYTUYXYOYGZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-9-4-7-6-3-10-5-8(6)12(2)11-7/h9-10H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine?
N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine has a molecular weight of 166.23 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine is sourced from PubChem (CID 83862241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).