[[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate

C7H7ClN4O2 — CID 4293110

IUPAC[[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate
SMILESNC(=NOC(=O)CCl)c1cnccn1
InChIInChI=1S/C7H7ClN4O2/c8-3-6(13)14-12-7(9)5-4-10-1-2-11-5/h1-2,4H,3H2,(H2,9,12)
InChIKeyKIECOTQZCXKMAC-UHFFFAOYSA-N
MW214.61 g/mol
LogP-0.12
Rot. Bonds3

About [[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate

[[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate (PubChem CID 4293110) has the molecular formula C7H7ClN4O2 and a molecular weight of 214.61 g/mol. Its IUPAC name is [[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate.

Molecular Properties

Compound Name[[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate
PubChem CID4293110
Molecular FormulaC7H7ClN4O2
Molecular Weight214.61 g/mol
Exact Mass214.03
IUPAC Name[[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate
SMILESNC(=NOC(=O)CCl)c1cnccn1
InChIInChI=1S/C7H7ClN4O2/c8-3-6(13)14-12-7(9)5-4-10-1-2-11-5/h1-2,4H,3H2,(H2,9,12)
InChIKeyKIECOTQZCXKMAC-UHFFFAOYSA-N
XLogP-0.12
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.61
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2-chloroacetate
CID 88937741
[[amino(pyrimidin-5-yl)methylidene]amino] 2-chloroacetate
CID 123688515
dimethyl (E)-2-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]oxybut-2-enedioate
CID 11616122
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
amino pyrazine-2-carboxylate
CID 67878279
N'-propan-2-ylpyrazine-2-carboximidamide
CID 63181346
N'-tert-butylpyrazine-2-carboximidamide
CID 63181941
N'-(2-cycloheptyloxyethoxy)pyrazine-2-carboximidamide
CID 126819906
2-chloroethyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574671
(3,5-dimethylphenyl)methyl pyrazine-2-carboxylate
CID 17428240
[[amino(pyridin-2-yl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 2944587
(5-chlorothiadiazol-4-yl)methyl pyrazine-2-carboxylate
CID 37291780

Frequently Asked Questions

What is the IUPAC name of [[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate?
The IUPAC name of [[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate (CID 4293110) is [[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate.
What is the SMILES notation for [[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate?
The canonical SMILES for [[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate is NC(=NOC(=O)CCl)c1cnccn1.
What is the InChIKey of [[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate?
The InChIKey is KIECOTQZCXKMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O2/c8-3-6(13)14-12-7(9)5-4-10-1-2-11-5/h1-2,4H,3H2,(H2,9,12).
What are the key properties of [[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate?
[[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate has a molecular weight of 214.61 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino(pyrazin-2-yl)methylidene]amino] 2-chloroacetate is sourced from PubChem (CID 4293110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).