N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine

C9H8N6 — CID 90674627

IUPACN-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine
SMILESC(=N/Nc1cnccn1)\c1cnccn1
InChIInChI=1S/C9H8N6/c1-3-12-8(5-10-1)6-14-15-9-7-11-2-4-13-9/h1-7H,(H,13,15)/b14-6+
InChIKeyJBMRNRRLCBLHQC-MKMNVTDBSA-N
MW200.21 g/mol
LogP0.71
Rot. Bonds3

About N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine

N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine (PubChem CID 90674627) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine
PubChem CID90674627
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC NameN-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine
SMILESC(=N/Nc1cnccn1)\c1cnccn1
InChIInChI=1S/C9H8N6/c1-3-12-8(5-10-1)6-14-15-9-7-11-2-4-13-9/h1-7H,(H,13,15)/b14-6+
InChIKeyJBMRNRRLCBLHQC-MKMNVTDBSA-N
XLogP0.71
TPSA75.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine?
The IUPAC name of N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine (CID 90674627) is N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine.
What is the SMILES notation for N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine?
The canonical SMILES for N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine is C(=N/Nc1cnccn1)\c1cnccn1.
What is the InChIKey of N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine?
The InChIKey is JBMRNRRLCBLHQC-MKMNVTDBSA-N. The full InChI is InChI=1S/C9H8N6/c1-3-12-8(5-10-1)6-14-15-9-7-11-2-4-13-9/h1-7H,(H,13,15)/b14-6+.
What are the key properties of N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine?
N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine has a molecular weight of 200.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyrazin-2-ylmethylideneamino]pyrazin-2-amine is sourced from PubChem (CID 90674627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).