N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine

C13H21N5O — CID 104731385

IUPACN'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
SMILESCOCCN(C)CCNc1nccn2nc(C)cc12
InChIInChI=1S/C13H21N5O/c1-11-10-12-13(15-5-7-18(12)16-11)14-4-6-17(2)8-9-19-3/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,15)
InChIKeyNKBQSRUOKNOJQS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.03
Rot. Bonds7

About N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine (PubChem CID 104731385) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
PubChem CID104731385
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
SMILESCOCCN(C)CCNc1nccn2nc(C)cc12
InChIInChI=1S/C13H21N5O/c1-11-10-12-13(15-5-7-18(12)16-11)14-4-6-17(2)8-9-19-3/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,15)
InChIKeyNKBQSRUOKNOJQS-UHFFFAOYSA-N
XLogP1.03
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine (CID 104731385) is N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine is COCCN(C)CCNc1nccn2nc(C)cc12.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine?
The InChIKey is NKBQSRUOKNOJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-11-10-12-13(15-5-7-18(12)16-11)14-4-6-17(2)8-9-19-3/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,15).
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine has a molecular weight of 263.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 104731385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).