2-[(3-cyanopyrazin-2-yl)amino]ethylurea

C8H10N6O — CID 78993991

IUPAC2-[(3-cyanopyrazin-2-yl)amino]ethylurea
SMILESN#Cc1nccnc1NCCNC(N)=O
InChIInChI=1S/C8H10N6O/c9-5-6-7(12-2-1-11-6)13-3-4-14-8(10)15/h1-2H,3-4H2,(H,12,13)(H3,10,14,15)
InChIKeyZLKGPORUKTZYJY-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.57
Rot. Bonds4

About 2-[(3-cyanopyrazin-2-yl)amino]ethylurea

2-[(3-cyanopyrazin-2-yl)amino]ethylurea (PubChem CID 78993991) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-[(3-cyanopyrazin-2-yl)amino]ethylurea.

Molecular Properties

Compound Name2-[(3-cyanopyrazin-2-yl)amino]ethylurea
PubChem CID78993991
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-[(3-cyanopyrazin-2-yl)amino]ethylurea
SMILESN#Cc1nccnc1NCCNC(N)=O
InChIInChI=1S/C8H10N6O/c9-5-6-7(12-2-1-11-6)13-3-4-14-8(10)15/h1-2H,3-4H2,(H,12,13)(H3,10,14,15)
InChIKeyZLKGPORUKTZYJY-UHFFFAOYSA-N
XLogP-0.57
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-aminopyrazin-2-yl)amino]ethylurea
CID 103744261
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide
CID 133283671
2-[[2-[(3-cyanopyrazin-2-yl)amino]acetyl]amino]acetic acid
CID 55104822
3-(2-pyridin-4-ylethylamino)pyrazine-2-carbonitrile
CID 62671465
3-[2-(2-hydroxypropylamino)ethylamino]pyrazine-2-carbonitrile
CID 104594134
ethyl 2-[(3-cyanopyrazin-2-yl)amino]acetate
CID 62672173
3-[(3-cyanopyrazin-2-yl)amino]-N-cyclopropylpropanamide
CID 79393897
3-(2-aminopropylamino)pyrazine-2-carbonitrile
CID 63731086
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
3-[2-(4-acetylpiperazin-1-yl)ethylamino]pyrazine-2-carbonitrile
CID 133283160
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]ethylurea?
The IUPAC name of 2-[(3-cyanopyrazin-2-yl)amino]ethylurea (CID 78993991) is 2-[(3-cyanopyrazin-2-yl)amino]ethylurea.
What is the SMILES notation for 2-[(3-cyanopyrazin-2-yl)amino]ethylurea?
The canonical SMILES for 2-[(3-cyanopyrazin-2-yl)amino]ethylurea is N#Cc1nccnc1NCCNC(N)=O.
What is the InChIKey of 2-[(3-cyanopyrazin-2-yl)amino]ethylurea?
The InChIKey is ZLKGPORUKTZYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c9-5-6-7(12-2-1-11-6)13-3-4-14-8(10)15/h1-2H,3-4H2,(H,12,13)(H3,10,14,15).
What are the key properties of 2-[(3-cyanopyrazin-2-yl)amino]ethylurea?
2-[(3-cyanopyrazin-2-yl)amino]ethylurea has a molecular weight of 206.21 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanopyrazin-2-yl)amino]ethylurea is sourced from PubChem (CID 78993991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).