3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine

C10H13ClN4 — CID 142292788

IUPAC3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine
SMILES[H]/N=C(\C1CCCC1)n1ccnc(Cl)/c1=N\[H]
InChIInChI=1S/C10H13ClN4/c11-8-10(13)15(6-5-14-8)9(12)7-3-1-2-4-7/h5-7,12-13H,1-4H2/b12-9+,13-10+
InChIKeyPITALRCUZROKQE-JOWSBRCASA-N
MW224.69 g/mol
LogP2.03
Rot. Bonds1

About 3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine

3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine (PubChem CID 142292788) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine.

Molecular Properties

Compound Name3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine
PubChem CID142292788
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine
SMILES[H]/N=C(\C1CCCC1)n1ccnc(Cl)/c1=N\[H]
InChIInChI=1S/C10H13ClN4/c11-8-10(13)15(6-5-14-8)9(12)7-3-1-2-4-7/h5-7,12-13H,1-4H2/b12-9+,13-10+
InChIKeyPITALRCUZROKQE-JOWSBRCASA-N
XLogP2.03
TPSA65.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine?
The IUPAC name of 3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine (CID 142292788) is 3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine.
What is the SMILES notation for 3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine?
The canonical SMILES for 3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine is [H]/N=C(\C1CCCC1)n1ccnc(Cl)/c1=N\[H].
What is the InChIKey of 3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine?
The InChIKey is PITALRCUZROKQE-JOWSBRCASA-N. The full InChI is InChI=1S/C10H13ClN4/c11-8-10(13)15(6-5-14-8)9(12)7-3-1-2-4-7/h5-7,12-13H,1-4H2/b12-9+,13-10+.
What are the key properties of 3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine?
3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine has a molecular weight of 224.69 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(cyclopentanecarboximidoyl)pyrazin-2-imine is sourced from PubChem (CID 142292788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).