N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine

C13H18N4O — CID 100653666

IUPACN-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine
SMILESC=CCN(CCOC)c1nccn2nc(C)cc12
InChIInChI=1S/C13H18N4O/c1-4-6-16(8-9-18-3)13-12-10-11(2)15-17(12)7-5-14-13/h4-5,7,10H,1,6,8-9H2,2-3H3
InChIKeyZXLCCDNROQBISI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.68
Rot. Bonds6

About N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine

N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 100653666) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID100653666
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine
SMILESC=CCN(CCOC)c1nccn2nc(C)cc12
InChIInChI=1S/C13H18N4O/c1-4-6-16(8-9-18-3)13-12-10-11(2)15-17(12)7-5-14-13/h4-5,7,10H,1,6,8-9H2,2-3H3
InChIKeyZXLCCDNROQBISI-UHFFFAOYSA-N
XLogP1.68
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine (CID 100653666) is N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine is C=CCN(CCOC)c1nccn2nc(C)cc12.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is ZXLCCDNROQBISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-6-16(8-9-18-3)13-12-10-11(2)15-17(12)7-5-14-13/h4-5,7,10H,1,6,8-9H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine?
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 246.31 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 100653666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).