N'-(5-chloropyrazin-2-yl)propane-1,3-diamine

C7H11ClN4 — CID 131197654

IUPACN'-(5-chloropyrazin-2-yl)propane-1,3-diamine
SMILESNCCCNc1cnc(Cl)cn1
InChIInChI=1S/C7H11ClN4/c8-6-4-12-7(5-11-6)10-3-1-2-9/h4-5H,1-3,9H2,(H,10,12)
InChIKeyRJSALEVCJDJBGZ-UHFFFAOYSA-N
MW186.65 g/mol
LogP0.89
Rot. Bonds4

About N'-(5-chloropyrazin-2-yl)propane-1,3-diamine

N'-(5-chloropyrazin-2-yl)propane-1,3-diamine (PubChem CID 131197654) has the molecular formula C7H11ClN4 and a molecular weight of 186.65 g/mol. Its IUPAC name is N'-(5-chloropyrazin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-chloropyrazin-2-yl)propane-1,3-diamine
PubChem CID131197654
Molecular FormulaC7H11ClN4
Molecular Weight186.65 g/mol
Exact Mass186.07
IUPAC NameN'-(5-chloropyrazin-2-yl)propane-1,3-diamine
SMILESNCCCNc1cnc(Cl)cn1
InChIInChI=1S/C7H11ClN4/c8-6-4-12-7(5-11-6)10-3-1-2-9/h4-5H,1-3,9H2,(H,10,12)
InChIKeyRJSALEVCJDJBGZ-UHFFFAOYSA-N
XLogP0.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.65
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-chloropyrazin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(5-chloropyrazin-2-yl)propane-1,3-diamine (CID 131197654) is N'-(5-chloropyrazin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-chloropyrazin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(5-chloropyrazin-2-yl)propane-1,3-diamine is NCCCNc1cnc(Cl)cn1.
What is the InChIKey of N'-(5-chloropyrazin-2-yl)propane-1,3-diamine?
The InChIKey is RJSALEVCJDJBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4/c8-6-4-12-7(5-11-6)10-3-1-2-9/h4-5H,1-3,9H2,(H,10,12).
What are the key properties of N'-(5-chloropyrazin-2-yl)propane-1,3-diamine?
N'-(5-chloropyrazin-2-yl)propane-1,3-diamine has a molecular weight of 186.65 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropyrazin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 131197654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).