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

C9H16N4 — CID 84618281

IUPACN,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine
SMILESCN(C)Cc1nn(C)c2c1CNC2
InChIInChI=1S/C9H16N4/c1-12(2)6-8-7-4-10-5-9(7)13(3)11-8/h10H,4-6H2,1-3H3
InChIKeyCZAMNPKZHRTSNF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.08
Rot. Bonds2

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

N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine (PubChem CID 84618281) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine
PubChem CID84618281
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine
SMILESCN(C)Cc1nn(C)c2c1CNC2
InChIInChI=1S/C9H16N4/c1-12(2)6-8-7-4-10-5-9(7)13(3)11-8/h10H,4-6H2,1-3H3
InChIKeyCZAMNPKZHRTSNF-UHFFFAOYSA-N
XLogP0.08
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine (CID 84618281) is N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine is CN(C)Cc1nn(C)c2c1CNC2.
What is the InChIKey of N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine?
The InChIKey is CZAMNPKZHRTSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12(2)6-8-7-4-10-5-9(7)13(3)11-8/h10H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine?
N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)methanamine is sourced from PubChem (CID 84618281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).