2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine

C12H18N4O — CID 104762381

IUPAC2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCOC(C)C)nccn2n1
InChIInChI=1S/C12H18N4O/c1-9(2)17-7-5-14-12-11-8-10(3)15-16(11)6-4-13-12/h4,6,8-9H,5,7H2,1-3H3,(H,13,14)
InChIKeyUZOSLICXCNRIDO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.87
Rot. Bonds5

About 2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine

2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104762381) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104762381
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCCOC(C)C)nccn2n1
InChIInChI=1S/C12H18N4O/c1-9(2)17-7-5-14-12-11-8-10(3)15-16(11)6-4-13-12/h4,6,8-9H,5,7H2,1-3H3,(H,13,14)
InChIKeyUZOSLICXCNRIDO-UHFFFAOYSA-N
XLogP1.87
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104762381) is 2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCCOC(C)C)nccn2n1.
What is the InChIKey of 2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is UZOSLICXCNRIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(2)17-7-5-14-12-11-8-10(3)15-16(11)6-4-13-12/h4,6,8-9H,5,7H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 234.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-propan-2-yloxyethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104762381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).