N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine

C8H14N8 — CID 98561244

IUPACN-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine
SMILESC(/C=N/NC1=NCCN1)=N/NC1=NCCN1
InChIInChI=1S/C8H14N8/c1-2-10-7(9-1)15-13-5-6-14-16-8-11-3-4-12-8/h5-6H,1-4H2,(H2,9,10,15)(H2,11,12,16)/b13-5-,14-6+
InChIKeySOPLPTZKLARLQW-FUJGBLOQSA-N
MW222.26 g/mol
LogP-1.94
Rot. Bonds3

About N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine

N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 98561244) has the molecular formula C8H14N8 and a molecular weight of 222.26 g/mol. Its IUPAC name is N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID98561244
Molecular FormulaC8H14N8
Molecular Weight222.26 g/mol
Exact Mass222.13
IUPAC NameN-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine
SMILESC(/C=N/NC1=NCCN1)=N/NC1=NCCN1
InChIInChI=1S/C8H14N8/c1-2-10-7(9-1)15-13-5-6-14-16-8-11-3-4-12-8/h5-6H,1-4H2,(H2,9,10,15)(H2,11,12,16)/b13-5-,14-6+
InChIKeySOPLPTZKLARLQW-FUJGBLOQSA-N
XLogP-1.94
TPSA97.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine (CID 98561244) is N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine is C(/C=N/NC1=NCCN1)=N/NC1=NCCN1.
What is the InChIKey of N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is SOPLPTZKLARLQW-FUJGBLOQSA-N. The full InChI is InChI=1S/C8H14N8/c1-2-10-7(9-1)15-13-5-6-14-16-8-11-3-4-12-8/h5-6H,1-4H2,(H2,9,10,15)(H2,11,12,16)/b13-5-,14-6+.
What are the key properties of N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 222.26 g/mol, XLogP of -1.94, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 98561244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).