N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide

C12H17N5O — CID 104732080

IUPACN,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
SMILESCCN(CC)C(=O)CNc1nccn2nccc12
InChIInChI=1S/C12H17N5O/c1-3-16(4-2)11(18)9-14-12-10-5-6-15-17(10)8-7-13-12/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyNCXCPIRXKYSBOB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.01
Rot. Bonds5

About N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide

N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide (PubChem CID 104732080) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
PubChem CID104732080
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide
SMILESCCN(CC)C(=O)CNc1nccn2nccc12
InChIInChI=1S/C12H17N5O/c1-3-16(4-2)11(18)9-14-12-10-5-6-15-17(10)8-7-13-12/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyNCXCPIRXKYSBOB-UHFFFAOYSA-N
XLogP1.01
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide?
The IUPAC name of N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide (CID 104732080) is N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide?
The canonical SMILES for N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide is CCN(CC)C(=O)CNc1nccn2nccc12.
What is the InChIKey of N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide?
The InChIKey is NCXCPIRXKYSBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-16(4-2)11(18)9-14-12-10-5-6-15-17(10)8-7-13-12/h5-8H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide?
N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide has a molecular weight of 247.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(pyrazolo[1,5-a]pyrazin-4-ylamino)acetamide is sourced from PubChem (CID 104732080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).