1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine

C5H10N4S2 — CID 90037916

IUPAC1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine
SMILESCC(N(S)S)n1cc(N)cn1
InChIInChI=1S/C5H10N4S2/c1-4(9(10)11)8-3-5(6)2-7-8/h2-4,10-11H,6H2,1H3
InChIKeySCUYICSNPZXKQL-UHFFFAOYSA-N
MW190.30 g/mol
LogP0.98
Rot. Bonds2

About 1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine

1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine (PubChem CID 90037916) has the molecular formula C5H10N4S2 and a molecular weight of 190.30 g/mol. Its IUPAC name is 1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine
PubChem CID90037916
Molecular FormulaC5H10N4S2
Molecular Weight190.30 g/mol
Exact Mass190.03
IUPAC Name1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine
SMILESCC(N(S)S)n1cc(N)cn1
InChIInChI=1S/C5H10N4S2/c1-4(9(10)11)8-3-5(6)2-7-8/h2-4,10-11H,6H2,1H3
InChIKeySCUYICSNPZXKQL-UHFFFAOYSA-N
XLogP0.98
TPSA47.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine?
The IUPAC name of 1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine (CID 90037916) is 1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine is CC(N(S)S)n1cc(N)cn1.
What is the InChIKey of 1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine?
The InChIKey is SCUYICSNPZXKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S2/c1-4(9(10)11)8-3-5(6)2-7-8/h2-4,10-11H,6H2,1H3.
What are the key properties of 1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine?
1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine has a molecular weight of 190.30 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(sulfanyl)amino]ethyl]pyrazol-4-amine is sourced from PubChem (CID 90037916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).