N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine

C16H22N6 — CID 171134725

IUPACN-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
SMILESCC=C(C)CN1CCn2nc(CNc3cnccn3)cc2C1
InChIInChI=1S/C16H22N6/c1-3-13(2)11-21-6-7-22-15(12-21)8-14(20-22)9-19-16-10-17-4-5-18-16/h3-5,8,10H,6-7,9,11-12H2,1-2H3,(H,18,19)
InChIKeySKHHHYGZSILDRS-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.07
Rot. Bonds5

About N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine

N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine (PubChem CID 171134725) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
PubChem CID171134725
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine
SMILESCC=C(C)CN1CCn2nc(CNc3cnccn3)cc2C1
InChIInChI=1S/C16H22N6/c1-3-13(2)11-21-6-7-22-15(12-21)8-14(20-22)9-19-16-10-17-4-5-18-16/h3-5,8,10H,6-7,9,11-12H2,1-2H3,(H,18,19)
InChIKeySKHHHYGZSILDRS-UHFFFAOYSA-N
XLogP2.07
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine (CID 171134725) is N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine is CC=C(C)CN1CCn2nc(CNc3cnccn3)cc2C1.
What is the InChIKey of N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
The InChIKey is SKHHHYGZSILDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-3-13(2)11-21-6-7-22-15(12-21)8-14(20-22)9-19-16-10-17-4-5-18-16/h3-5,8,10H,6-7,9,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine?
N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 171134725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).