N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine

C13H21N5 — CID 103117611

IUPACN'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCc1cnn2ccncc12
InChIInChI=1S/C13H21N5/c1-11(2)7-14-3-4-15-8-12-9-17-18-6-5-16-10-13(12)18/h5-6,9-11,14-15H,3-4,7-8H2,1-2H3
InChIKeyCMLXUICVJLKMGZ-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.06
Rot. Bonds7

About N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine

N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 103117611) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine
PubChem CID103117611
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCc1cnn2ccncc12
InChIInChI=1S/C13H21N5/c1-11(2)7-14-3-4-15-8-12-9-17-18-6-5-16-10-13(12)18/h5-6,9-11,14-15H,3-4,7-8H2,1-2H3
InChIKeyCMLXUICVJLKMGZ-UHFFFAOYSA-N
XLogP1.06
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103125922
3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
CID 114201709
pyrazolo[1,5-a]pyrazin-3-ylmethanesulfonamide
CID 103123817
1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103125780
2-methylsulfinyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
CID 115632462
2-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
CID 115757570
2-[methyl(pyrazolo[1,5-a]pyrazin-3-ylmethyl)amino]ethanol
CID 103117662
2-methyl-3-methylsulfanyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-1-amine
CID 63965507
N-ethyl-2-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 114013583
3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126804
N,2-diethyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103127786
N'-(2-methylpropyl)-N-(pyridazin-4-ylmethyl)ethane-1,2-diamine
CID 104670165

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine (CID 103117611) is N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine is CC(C)CNCCNCc1cnn2ccncc12.
What is the InChIKey of N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is CMLXUICVJLKMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-11(2)7-14-3-4-15-8-12-9-17-18-6-5-16-10-13(12)18/h5-6,9-11,14-15H,3-4,7-8H2,1-2H3.
What are the key properties of N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine?
N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 247.35 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-N-(pyrazolo[1,5-a]pyrazin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 103117611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).