N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide

C6H11ClN4 — CID 176531946

IUPACN'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide
SMILES[H]/N=C(\C)N/C(Cl)=C/N=C(\C)N
InChIInChI=1S/C6H11ClN4/c1-4(8)10-3-6(7)11-5(2)9/h3H,1-2H3,(H2,8,10)(H2,9,11)/b6-3+
InChIKeyPTYSUTHKABJPKY-ZZXKWVIFSA-N
MW174.64 g/mol
LogP0.99
Rot. Bonds2

About N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide

N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide (PubChem CID 176531946) has the molecular formula C6H11ClN4 and a molecular weight of 174.64 g/mol. Its IUPAC name is N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide
PubChem CID176531946
Molecular FormulaC6H11ClN4
Molecular Weight174.64 g/mol
Exact Mass174.07
IUPAC NameN'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide
SMILES[H]/N=C(\C)N/C(Cl)=C/N=C(\C)N
InChIInChI=1S/C6H11ClN4/c1-4(8)10-3-6(7)11-5(2)9/h3H,1-2H3,(H2,8,10)(H2,9,11)/b6-3+
InChIKeyPTYSUTHKABJPKY-ZZXKWVIFSA-N
XLogP0.99
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.64
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(N'-methylcarbamimidoyl)ethanimidamide
CID 176526831
N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide
CID 176545674
(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride
CID 168898427
N-(1-aminoethylidene)-2-(methylamino)ethanimidamide
CID 122487479
(E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride
CID 167151920
1-ethanimidoyl-3-methylurea
CID 152774406
N'-carbamimidoylethanimidamide
CID 20603119
N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide
CID 161421983
3-N-(1-aminoethylidene)-1-N-(N'-methylcarbamimidoyl)propanediimidamide
CID 176533594
cobalt;ethanimidamide
CID 162055614
2-iminopropanimidamide
CID 174066114
(4-amino-3-chloro-4-iminobut-2-en-2-yl)-methylazanium
CID 163855061

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide?
The IUPAC name of N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide (CID 176531946) is N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide.
What is the SMILES notation for N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide?
The canonical SMILES for N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide is [H]/N=C(\C)N/C(Cl)=C/N=C(\C)N.
What is the InChIKey of N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide?
The InChIKey is PTYSUTHKABJPKY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H11ClN4/c1-4(8)10-3-6(7)11-5(2)9/h3H,1-2H3,(H2,8,10)(H2,9,11)/b6-3+.
What are the key properties of N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide?
N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide has a molecular weight of 174.64 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide is sourced from PubChem (CID 176531946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).