N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine

C11H14N4S — CID 106429998

IUPACN-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC=CCSCCNc1nccn2nccc12
InChIInChI=1S/C11H14N4S/c1-2-8-16-9-6-13-11-10-3-4-14-15(10)7-5-12-11/h2-5,7H,1,6,8-9H2,(H,12,13)
InChIKeyWNHRDUKHYHUDDE-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.06
Rot. Bonds6

About N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106429998) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106429998
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC=CCSCCNc1nccn2nccc12
InChIInChI=1S/C11H14N4S/c1-2-8-16-9-6-13-11-10-3-4-14-15(10)7-5-12-11/h2-5,7H,1,6,8-9H2,(H,12,13)
InChIKeyWNHRDUKHYHUDDE-UHFFFAOYSA-N
XLogP2.06
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

Pyrazolo[1,5-a]pyrazin-4-amine
CID 57680871
7-Iodopyrazolo(1,5-a)pyrazin-4-amine
CID 155973699
5-Allyl-7-allylsulfanyl-imidazo[4,5-d]pyridazine
CID 391410
2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 127922023
N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine
CID 164559314
4-(1-Pyrazolyl)pyrazolo[1,5-a]pyrazine
CID 104734365
N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 103063436
N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730486
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730750
N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731421
N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731528
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731532

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 106429998) is N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine is C=CCSCCNc1nccn2nccc12.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is WNHRDUKHYHUDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-8-16-9-6-13-11-10-3-4-14-15(10)7-5-12-11/h2-5,7H,1,6,8-9H2,(H,12,13).
What are the key properties of N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 234.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106429998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).