N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine

C9H11N5O2S — CID 58009801

IUPACN-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine
SMILESC/C=N/Nc1cnc2c(ccn2S(C)(=O)=O)n1
InChIInChI=1S/C9H11N5O2S/c1-3-11-13-8-6-10-9-7(12-8)4-5-14(9)17(2,15)16/h3-6H,1-2H3,(H,12,13)/b11-3+
InChIKeyKHOSUFTVQMDUOU-QDEBKDIKSA-N
MW253.29 g/mol
LogP0.66
Rot. Bonds3

About N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine

N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine (PubChem CID 58009801) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine
PubChem CID58009801
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC NameN-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine
SMILESC/C=N/Nc1cnc2c(ccn2S(C)(=O)=O)n1
InChIInChI=1S/C9H11N5O2S/c1-3-11-13-8-6-10-9-7(12-8)4-5-14(9)17(2,15)16/h3-6H,1-2H3,(H,12,13)/b11-3+
InChIKeyKHOSUFTVQMDUOU-QDEBKDIKSA-N
XLogP0.66
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine?
The IUPAC name of N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine (CID 58009801) is N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine.
What is the SMILES notation for N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine?
The canonical SMILES for N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine is C/C=N/Nc1cnc2c(ccn2S(C)(=O)=O)n1.
What is the InChIKey of N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine?
The InChIKey is KHOSUFTVQMDUOU-QDEBKDIKSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-3-11-13-8-6-10-9-7(12-8)4-5-14(9)17(2,15)16/h3-6H,1-2H3,(H,12,13)/b11-3+.
What are the key properties of N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine?
N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine has a molecular weight of 253.29 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-ethylideneamino]-5-methylsulfonylpyrrolo[2,3-b]pyrazin-2-amine is sourced from PubChem (CID 58009801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).