1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine

C10H18N8S — CID 12066366

IUPAC1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine
SMILESNc1cnn(CCSCCn2ncc(N)c2N)c1N
InChIInChI=1S/C10H18N8S/c11-7-5-15-17(9(7)13)1-3-19-4-2-18-10(14)8(12)6-16-18/h5-6H,1-4,11-14H2
InChIKeyPWRTXEMPTAYTCZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP-0.16
Rot. Bonds6

About 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine

1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine (PubChem CID 12066366) has the molecular formula C10H18N8S and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine
PubChem CID12066366
Molecular FormulaC10H18N8S
Molecular Weight282.38 g/mol
Exact Mass282.14
IUPAC Name1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine
SMILESNc1cnn(CCSCCn2ncc(N)c2N)c1N
InChIInChI=1S/C10H18N8S/c11-7-5-15-17(9(7)13)1-3-19-4-2-18-10(14)8(12)6-16-18/h5-6H,1-4,11-14H2
InChIKeyPWRTXEMPTAYTCZ-UHFFFAOYSA-N
XLogP-0.16
TPSA139.72 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-[(4,5-Diaminopyrazol-1-yl)methyl]pyrazole-4,5-diamine
CID 12011885
1-[3-(4,5-Diaminopyrazol-1-yl)cyclohexyl]pyrazole-4,5-diamine
CID 12011888
1-[2-Amino-3-(4,5-diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine
CID 12066362
1-[2-[2-(4,5-Diaminopyrazol-1-yl)ethylamino]ethyl]pyrazole-4,5-diamine
CID 12066363
1-[2-[2-(4,5-Diaminopyrazol-1-yl)ethyl-methylamino]ethyl]pyrazole-4,5-diamine
CID 12066367
Bis[2-(4,5-diaminopyrazol-1-yl)ethyl]-dimethylazanium
CID 12066368
1,2-Bis-(4,5-diaminopyrazol-1-yl)ethane
CID 13008372
1-[3-(4,5-Diaminopyrazol-1-yl)propyl]pyrazole-4,5-diamine
CID 13008381
1-[2-(4,5-Diaminopyrazol-1-yl)ethyl]pyrazole-4,5-diamine;sulfuric acid
CID 17841691
2-(4,5-Diaminopyrazol-1-yl)ethyl-trimethylazanium
CID 17865204
1-[5-(4,5-Diaminopyrazol-1-yl)-3-methylpentyl]pyrazole-3,4-diamine
CID 20826260
1-[2-[4-[2-(4,5-Diaminopyrazol-1-yl)ethyl]-1,4-dimethyl-1,4-diazepane-1,4-diium-1-yl]ethyl]pyrazole-3,4-diamine
CID 20826262

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine?
The IUPAC name of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine (CID 12066366) is 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine is Nc1cnn(CCSCCn2ncc(N)c2N)c1N.
What is the InChIKey of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine?
The InChIKey is PWRTXEMPTAYTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N8S/c11-7-5-15-17(9(7)13)1-3-19-4-2-18-10(14)8(12)6-16-18/h5-6H,1-4,11-14H2.
What are the key properties of 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine?
1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine has a molecular weight of 282.38 g/mol, XLogP of -0.16, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4,5-diaminopyrazol-1-yl)ethylsulfanyl]ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 12066366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).